CAS: 127-17-3 Molecular Formula: C₃H₄O₃ Molecular Weight (g/mol): 88.06 MDL Number: MFCD00002585 InChI Key: LCTONWCANYUPML-UHFFFAOYSA-N Synonym: pyruvic acid, pyroracemic acid, 2-oxopropionic acid, acetylformic acid, alpha-ketopropionic acid, 2-ketopropionic acid, 2-oxopropanoate, propanoic acid, 2-oxo, 2-oxo-propionic acid, 2-oxopropansaeure PubChem CID: 1060 ChEBI: CHEBI:32816 IUPAC Name: 2-oxopropanoic acid SMILES: CC(=O)C(=O)O

CAS: 4619-20-9 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00020541 InChI Key: OEEUWZITKKSXAZ-UHFFFAOYSA-N Synonym: 3-4-methylbenzoyl propionic acid, 4-oxo-4-p-tolyl butanoic acid, 4-4-methylphenyl-4-oxobutanoic acid, 4-4-methylphenyl-4-oxobutyric acid, 4-oxo-4-4-tolyl butyric acid, 4-oxo-4-p-tolylbutyric acid, 4-oxo-4-p-tolylbutanoic acid, 3-4-methylbenzoyl-propionic acid, acmc-1aooh, benzenebutanoic acid, 4-methyl-gamma-oxo PubChem CID: 244162 IUPAC Name: 4-(4-methylphenyl)-4-oxobutanoic acid SMILES: CC1=CC=C(C=C1)C(=O)CCC(=O)O

CAS: 1878-81-5 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00014363 InChI Key: KMXZEXUYXUMHEQ-UHFFFAOYSA-N Synonym: 4-acetylphenoxyacetic acid, 2-4-acetylphenoxy acetic acid, 4-acetylphenoxy acetic acid, p-acetylphenoxy acetic acid, p-acetylphenoxyacetic acid, chembl84623, 4-acetyl-phenoxy-acetic acid, acetic acid, 4-acetylphenoxy, acetic acid,2-4-acetylphenoxy PubChem CID: 74655 IUPAC Name: 2-(4-acetylphenoxy)acetic acid SMILES: CC(=O)C1=CC=C(C=C1)OCC(=O)O

CAS: 70-11-1 Molecular Formula: C₈H₇BrO Molecular Weight (g/mol): 199.05 MDL Number: MFCD00000195 InChI Key: LIGACIXOYTUXAW-UHFFFAOYSA-N Synonym: 2-bromoacetophenone, phenacyl bromide, 2-bromo-1-phenylethan-1-one, bromoacetophenone, ethanone, 2-bromo-1-phenyl, bromomethyl phenyl ketone, alpha-bromoacetophenone, stauffer 4644, omega-bromoacetophenone, acetophenone, 2-bromo PubChem CID: 6259 ChEBI: CHEBI:51846 IUPAC Name: 2-bromo-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)CBr

CAS: 4252-78-2 Molecular Formula: C8H5Cl3O Molecular Weight (g/mol): 223.477 MDL Number: MFCD00000934 InChI Key: VYWPPRLJNVHPEU-UHFFFAOYSA-N Synonym: 2,2',4'-trichloroacetophenone, 2-chloro-1-2,4-dichlorophenyl ethanone, 2,4-dichlorophenacyl chloride, unii-2e35p7hji2, 2-chloro-1-2,4-dichlorophenyl ethan-1-one, ccris 633, ethanone, 2-chloro-1-2,4-dichlorophenyl, 2,2,4-trichloroacetophenone, dsstox_cid_6190, 1-2,4-dichlorophenyl-2-chloroethan-1-one PubChem CID: 20250 IUPAC Name: 2-chloro-1-(2,4-dichlorophenyl)ethanone SMILES: C1=CC(=C(C=C1Cl)Cl)C(=O)CCl

CAS: 54223-20-0 Molecular Formula: C9H6BrNOS Molecular Weight (g/mol): 256.117 InChI Key: AYWGYNKWZWBMSV-UHFFFAOYSA-N Synonym: 1-1,3-benzothiazol-2-yl-2-bromo-1-ethanone, 1-benzo d thiazol-2-yl-2-bromoethanone, 1-1,3-benzothiazol-2-yl-2-bromoethanone, 2-bromoacetyl benzothiazole, 1-benzothiazol-2-yl-2-bromoethanone, 1-benzothiazol-2-yl-2-bromo-ethanone, 1-1,3-benzothiazol-2-yl-2-bromoethan-1-one, pubchem23327, 2-bromoacetyl-1,3-benzothiazole PubChem CID: 2776256 IUPAC Name: 1-(1,3-benzothiazol-2-yl)-2-bromoethanone SMILES: C1=CC=C2C(=C1)N=C(S2)C(=O)CBr

CAS: 13195-79-4 Molecular Formula: C8H5Br3O Molecular Weight (g/mol): 356.839 MDL Number: MFCD00017858 InChI Key: KFTUNOVZJWIKFX-UHFFFAOYSA-N Synonym: 2,2,4'-tribromoacetophenone, 2,2-dibromo-1-4-bromophenyl ethanone, acetophenone, 2,2,4'-tribromo, 2,2-dibromo-1-4-bromophenyl ethan-1-one, 4alpha,alpha-tribromoacetophenone, 4,alpha,alpha-tribromoacetophenone, p,alpha,alpha-tribromoacetophenone, wln: eyevr de, ethanone, 2,2-dibromo-1-4-bromophenyl, 2,4'-tribromoacetophenone PubChem CID: 25776 IUPAC Name: 2,2-dibromo-1-(4-bromophenyl)ethanone SMILES: C1=CC(=CC=C1C(=O)C(Br)Br)Br

CAS: 5467-72-1 Molecular Formula: C8H9BrClNO Molecular Weight (g/mol): 250.52 MDL Number: MFCD00051998 InChI Key: ROAVTVXTYFSQEA-UHFFFAOYSA-N Synonym: 4-bromophenacylamine hydrochloride, 2-amino-4'-bromoacetophenone hydrochloride, 2-amino-1-4-bromophenyl ethanone hydrochloride, 2-amino-4'-bromoacetophenone hcl, 2-amino-4-bromoacetophenone hydrochloride, 2-amino-1-4-bromophenyl ethan-1-one hydrochloride, a-amino-4'-bromoacetophenone, ethanone, 2-amino-1-4-bromophenyl-, hydrochloride, 2-amino-1-4-bromophenyl ethan-1-one, ethanone, 2-amino-1-4-bromophenyl PubChem CID: 2798216 IUPAC Name: 2-amino-1-(4-bromophenyl)ethanone;hydrochloride SMILES: C1=CC(=CC=C1C(=O)CN)Br.Cl

CAS: 6851-99-6 Molecular Formula: C₈H₆BrNO₃ Molecular Weight (g/mol): 244.4 MDL Number: MFCD00010294 InChI Key: SGXUUCSRVVSMGK-UHFFFAOYSA-N Synonym: 2-bromo-2'-nitroacetophenone, 2'-nitrophenacyl bromide, 2-bromo-1-2-nitrophenyl ethanone, 2-nitrophenacyl bromide, 2-bromo-1-2-nitro-phenyl-ethanone, o-nitrophenacyl bromide, o-nitrophenethyl bromide, 2-o-nitrophenyl ethyl bromide, 2-bromo-1-2-nitrophenyl ethan-1-one, ethanone, 2-bromo-1-2-nitrophenyl PubChem CID: 244025 IUPAC Name: 2-bromo-1-(2-nitrophenyl)ethanone SMILES: C1=CC=C(C(=C1)C(=O)CBr)[N+](=O)[O-]

CAS: 258506-49-9 Molecular Formula: C11H7BrClNO2 Molecular Weight (g/mol): 300.536 MDL Number: MFCD00662759 InChI Key: OUHGJKFYGYXITB-UHFFFAOYSA-N Synonym: 2-bromo-1-3-4-chlorophenyl-5-isoxazolyl-1-ethanone, 5-bromoacetyl-3-4-chlorophenyl isoxazole, 2-bromo-1-3-4-chlorophenyl isoxazol-5-yl ethan-1-one, 2-bromo-1-3-4-chlorophenyl-1,2-oxazol-5-yl ethanone, 2-bromo-1-3-4-chlorophenyl isoxazol-5-yl ethanone, 2-bromo-1-3-4-chlorophenyl-isoxazol-5-yl ethanone, 2-bromo-1-3-4-chloro-phenyl-isoxazol-5-yl-ethanone, 2-bromo-1-3-4-chlorophenyl-1,2-oxazol-5-yl ethan-1-one, pubchem8718 PubChem CID: 2799661 IUPAC Name: 2-bromo-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanone SMILES: C1=CC(=CC=C1C2=NOC(=C2)C(=O)CBr)Cl

CAS: 600-14-6 Molecular Formula: C₅H₈O₂ Molecular Weight (g/mol): 100.12 MDL Number: MFCD00009313 InChI Key: TZMFJUDUGYTVRY-UHFFFAOYSA-N Synonym: 2,3-pentanedione, acetylpropionyl, acetyl propionyl, 2,3-pentadione, acetylpropionyl van, unii-k4wbe45scm, acetyl propionyl natural, 2,3-pentane-dione, pentan-2,3-dione, ethyl methyl diketone PubChem CID: 11747 ChEBI: CHEBI:52774 IUPAC Name: pentane-2,3-dione SMILES: CCC(=O)C(=O)C

CAS: 303-98-0 Molecular Formula: C59H90O4 Molecular Weight (g/mol): 863.365 MDL Number: MFCD00042919 InChI Key: ACTIUHUUMQJHFO-UPTCCGCDSA-N Synonym: coenzyme q10, ubidecarenone, ubiquinone 50, coq10, ubiquinone-10, neuquinon, ubiquinone, justquinon, neuquinone, emitolon PubChem CID: 5281915 ChEBI: CHEBI:46245 IUPAC Name: 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione SMILES: CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C

CAS: 38430-55-6 Molecular Formula: C₁₁H₁₂O₃ Molecular Weight (g/mol): 192.21 MDL Number: MFCD00013241 InChI Key: GLOAPLPTWAXAIG-UHFFFAOYSA-N Synonym: 4-acetylbenzoic acid ethyl ester, benzoic acid, 4-acetyl-, ethyl ester, 4-acetyl-benzoic acid ethyl ester, ethyl4-acetylbenzoate, ethyl 4-acetylbenzate, pubchem18162, ethyl 4-acetyl benzoate, ethyl 4-acetyl-benzoate, acmc-1csm7, ethyl 4-acetylbenzoate PubChem CID: 600911 IUPAC Name: ethyl 4-acetylbenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)C(=O)C

CAS: 33371-97-0 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00015377 InChI Key: WBPWDGRYHFQTRC-UHFFFAOYSA-N Synonym: 2-ethoxycyclohexanone, ethoxycyclohexanone, 2-ethoxy-cyclohexanone, acmc-1ai48 PubChem CID: 2733330 IUPAC Name: 2-ethoxycyclohexan-1-one SMILES: CCOC1CCCCC1=O

CAS: 1072-82-8 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.128 MDL Number: MFCD00067759 InChI Key: KHHSXHXUQVNBGA-UHFFFAOYSA-N Synonym: 3-acetylpyrrole, 1-1h-pyrrol-3-yl ethanone, 1-1h-pyrrol-3-yl ethan-1-one, ethanone, 1-1h-pyrrol-3-yl, 1-1h-pyrrol-3-yl-ethanone, 3-acetyl-1h-pyrrole, 3-acetyl pyrrole, pubchem22508, 3-acetyl-1h-pyrroline PubChem CID: 2737793 IUPAC Name: 1-(1H-pyrrol-3-yl)ethanone SMILES: CC(=O)C1=CNC=C1

CAS: 123-42-2 Molecular Formula: C₆H₁₂O₂ Molecular Weight (g/mol): 116.16 InChI Key: SWXVUIWOUIDPGS-UHFFFAOYSA-N Synonym: diacetone alcohol, 4-hydroxy-4-methyl-2-pentanone, diacetonalkohol, diketone alcohol, diacetonalcohol, tyranton, acetonyldimethylcarbinol, diacetone-alcool, pyranton a, 2-methyl-2-pentanol-4-one PubChem CID: 31256 ChEBI: CHEBI:55381 IUPAC Name: 4-hydroxy-4-methylpentan-2-one SMILES: CC(=O)CC(C)(C)O

CAS: 135-00-2 Molecular Formula: C11H8OS Molecular Weight (g/mol): 188.244 MDL Number: MFCD00022495 InChI Key: DWYFUJJWTRPARQ-UHFFFAOYSA-N Synonym: 2-benzoylthiophene, phenyl thiophen-2-yl methanone, phenyl 2-thienyl ketone, methanone, phenyl-2-thienyl, ketone, phenyl 2-thienyl, phenyl 2-thienyl methanone, 2-thienyl phenyl ketone, .alpha.-benzoylthiophene, phenyl-thiophen-2-yl-methanone, 2-benzoyl thiophene PubChem CID: 67262 IUPAC Name: phenyl(thiophen-2-yl)methanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CS2

CAS: 23761-23-1 Molecular Formula: C5H6O3 Molecular Weight (g/mol): 114.1 MDL Number: MFCD00100900 InChI Key: IENOFRJPUPTEMI-UHFFFAOYSA-N Synonym: 3-oxocyclobutanecarboxylic acid, 3-oxo-cyclobutanecarboxylic acid, cyclobutanecarboxylic acid, 3-oxo, 3-oxo-cyclobutanecarboxylicacid, 1-carboxy-3-oxocyclobutane, 3-oxocyclobutyl carboxylic acid, 3-oxocyclobutanecarboxylicacid, pubchem14220, acmc-1cak7, ksc201q6h PubChem CID: 4913358 IUPAC Name: 3-oxocyclobutane-1-carboxylic acid SMILES: C1C(CC1=O)C(=O)O

CAS: 1999-00-4 Molecular Formula: C11H11FO3 Molecular Weight (g/mol): 210.204 MDL Number: MFCD03093631 InChI Key: SJUXLKYJKQBZLM-UHFFFAOYSA-N Synonym: ethyl 3-4-fluorophenyl-3-oxopropanoate, ethyl 4-fluorobenzoylacetate, ethyl 4-fluorobenzoyl acetate, 4-fluorobenzoylacetic acid ethyl ester, ethyl p-fluorobenzoyl acetate, 4-fluorobenzoyl acetic acid ethyl ester, ethyl 3-4-fluorophenyl-3-oxopropionate, ethyl 3-4'-fluorophenyl-3-oxopropanoate, ethyl 4'-fluorobenzoylacetate, 3-4-fluoro-phenyl-3-oxo-propionic acid ethyl ester PubChem CID: 2758844 IUPAC Name: ethyl 3-(4-fluorophenyl)-3-oxopropanoate SMILES: CCOC(=O)CC(=O)C1=CC=C(C=C1)F

CAS: 126-81-8 Molecular Formula: C8H12O2 Molecular Weight (g/mol): 140.182 MDL Number: MFCD00001588 InChI Key: BADXJIPKFRBFOT-UHFFFAOYSA-N Synonym: dimedone, 5,5-dimethyl-1,3-cyclohexanedione, cyclomethone, medon, methone, dimedon, methon, 1,3-cyclohexanedione, 5,5-dimethyl, 5,5-dimethyldihydroresorcinol, 5,5-dimethylhydroresorcinol PubChem CID: 31358 IUPAC Name: 5,5-dimethylcyclohexane-1,3-dione SMILES: CC1(CC(=O)CC(=O)C1)C

CAS: 3952-78-1 Molecular Formula: C19H15NO8 Molecular Weight (g/mol): 385.328 MDL Number: MFCD00001202 InChI Key: PWIGYBONXWGOQE-UHFFFAOYSA-N Synonym: Alizarin Fluorine Blue; Alizarin-3-methyliminodiacetic acid PubChem CID: 65132 ChEBI: CHEBI:53088 IUPAC Name: 2-[carboxymethyl-[(3,4-dihydroxy-9,10-dioxoanthracen-2-yl)methyl]amino]acetic acid SMILES: C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)O)CN(CC(=O)O)CC(=O)O

CAS: 527-21-9 Molecular Formula: C6F4O2 Molecular Weight (g/mol): 180.058 MDL Number: MFCD00001592 InChI Key: JKLYZOGJWVAIQS-UHFFFAOYSA-N Synonym: tetrafluoro-1,4-benzoquinone, fluoranil, p-fluoranil, tetrafluoroquinone, tetrafluoro-p-benzoquinone, fluoroanil, tetrafluorocyclohexa-2,5-diene-1,4-dione, 2,5-cyclohexadiene-1,4-dione, 2,3,5,6-tetrafluoro, 2,3,5,6-tetrafluoro-1,4-benzoquinone, 2,3,5,6-tetrafluoro 1,4 benzoquinone PubChem CID: 68239 IUPAC Name: 2,3,5,6-tetrafluorocyclohexa-2,5-diene-1,4-dione SMILES: C1(=C(C(=O)C(=C(C1=O)F)F)F)F

CAS: 13329-40-3 Molecular Formula: C₈H₇IO Molecular Weight (g/mol): 246.05 MDL Number: MFCD00045320 InChI Key: JZJWCDQGIPQBAO-UHFFFAOYSA-N Synonym: 4'-iodoacetophenone, 1-4-iodophenyl ethanone, 4-iodoacetophenone, 1-4-iodophenyl ethan-1-one, p-iodoacetophenone, ethanone, 1-4-iodophenyl, 1-4-iodo-phenyl-ethanone, 1-acetyl-4-iodobenzene, 4-iodo acetophenone, 4;-iodoacetophenone PubChem CID: 72869 IUPAC Name: 1-(4-iodophenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)I

CAS: 116-16-5 Molecular Formula: C3Cl6O Molecular Weight (g/mol): 264.732 MDL Number: MFCD00000796 InChI Key: DOJXGHGHTWFZHK-UHFFFAOYSA-N Synonym: hexachloroacetone, hexachloro-2-propanone, perchloroacetone, hexachloropropanone, kureha hca, hca weedkiller, perchloro-2-propanone, bis trichloromethyl ketone, acetone, hexachloro, 2-propanone, hexachloro PubChem CID: 8303 ChEBI: CHEBI:82243 IUPAC Name: 1,1,1,3,3,3-hexachloropropan-2-one SMILES: C(=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

CAS: 124035-23-0 Molecular Formula: C14H18N2O2 Molecular Weight (g/mol): 246.31 MDL Number: MFCD08690322 InChI Key: LLEYCMVEUNZRIO-UHFFFAOYSA-N Synonym: n-4-piperidine-4-carbonyl phenyl acetamide, n-4-piperidin-4-ylcarbonyl phenyl acetamide, acetamide,n-4-4-piperidinylcarbonyl phenyl, acmc-20acnz, n-4-4-piperidylcarbonyl phenyl acetamide, n-4-4-piperidinyl-carbonyl phenyl-acetamide PubChem CID: 15680074 IUPAC Name: N-[4-(piperidine-4-carbonyl)phenyl]acetamide SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)C2CCNCC2

CAS: 40018-25-5 Molecular Formula: C9H6ClNO Molecular Weight (g/mol): 179.603 MDL Number: MFCD00051624 InChI Key: SBSWHTFHLWSSQS-UHFFFAOYSA-N Synonym: 2-chlorobenzoylacetonitrile, 3-2-chlorophenyl-3-oxopropanenitrile, 2-chlorobenzoyl acetonitrile, pubchem12047, acmc-1arra, 0-chlorocyanoacetophenone, o-chlorobenzoyl acetonitrile, 2'-chloro-2-cyanoacetophenone, timtec-bb sbb019129, 2-chlorobenzoylacetonitirle PubChem CID: 2734201 IUPAC Name: 3-(2-chlorophenyl)-3-oxopropanenitrile SMILES: C1=CC=C(C(=C1)C(=O)CC#N)Cl

CAS: 17159-79-4 Molecular Formula: C9H14O3 Molecular Weight (g/mol): 170.208 MDL Number: MFCD00013285 InChI Key: ZXYAWONOWHSQRU-UHFFFAOYSA-N Synonym: ethyl 4-oxocyclohexanecarboxylate, ethyl 4-cyclohexanonecarboxylate, 4-ethoxycarbonyl cyclohexanone, ethyl cyclohexanone-4-carboxylate, ethyl-4-oxo-cyclohexane carboxylate, 4-oxo-cyclohexanecarboxylic acid ethyl ester, cyclohexanecarboxylic acid, 4-oxo-, ethyl ester, ethyl4-oxocyclohexanecarboxylate, 4-cyclohexanonecarboxylic acid ethyl ester, ethyl 4-oxocyclohexane carboxylate PubChem CID: 317638 IUPAC Name: ethyl 4-oxocyclohexane-1-carboxylate SMILES: CCOC(=O)C1CCC(=O)CC1

CAS: 92-91-1 Molecular Formula: C14H12O Molecular Weight (g/mol): 196.249 MDL Number: MFCD00008749 InChI Key: QCZZSANNLWPGEA-UHFFFAOYSA-N Synonym: 4-acetylbiphenyl, 4'-phenylacetophenone, 4-phenylacetophenone, 4-biphenylyl methyl ketone, p-phenylacetophenone, p-acetylbiphenyl, 1-1,1'-biphenyl-4-yl ethanone, acetophenone, 4'-phenyl, 1-4-phenylphenyl ethanone, ketone, 4-biphenylyl methyl PubChem CID: 7113 IUPAC Name: 1-(4-phenylphenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2

CAS: 446-22-0 Molecular Formula: C9H9FO Molecular Weight (g/mol): 152.168 MDL Number: MFCD00009893 InChI Key: NSNSIFGTEGKZFK-UHFFFAOYSA-N Synonym: 2'-fluoropropiophenone, 1-2-fluorophenyl propan-1-one, 1-2-fluorophenyl-1-propanone, ethyl 2-fluorophenyl ketone, 1-propanone, 1-2-fluorophenyl, 1-2-fluorphenyl propan-1-on, 2;-fluoropropiophenone, pubchem19917, acmc-1cpyw, o-fluoropropiophenone PubChem CID: 579399 IUPAC Name: 1-(2-fluorophenyl)propan-1-one SMILES: CCC(=O)C1=CC=CC=C1F