CAS: 106-51-4 Formule moléculaire: C6H4O2 Poids moléculaire (g/mol): 108.096 Numéro MDL: MFCD00001591 Clé InChI: AZQWKYJCGOJGHM-UHFFFAOYSA-N Synonyme: 1,4-benzoquine, para-quinone, cyclohexadienedione, 2,5-cyclohexadiene-1,4-dione, chinone, p-quinone, 1,4-benzoquinone, quinone, benzoquinone, p-benzoquinone CID PubChem: 4650 ChEBI: CHEBI:16509 Nom IUPAC: cyclohexa-2,5-diène-1,4-dione SMILES: C1=CC(=O)C=CC1=O

CAS: 122-00-9 Formule moléculaire: C9H10O Poids moléculaire (g/mol): 134.18 Numéro MDL: MFCD00008751 Clé InChI: GNKZMNRKLCTJAY-UHFFFAOYSA-N Synonyme: p-acetotoluene, methyl p-tolyl ketone, 1-4-methylphenyl ethanone, 4-acetyltoluene, 4-methylacetophenone, melilotal, 1-p-tolylethanone, 1-p-tolyl ethanone, p-methylacetophenone, 4'-methylacetophenone CID PubChem: 8500 Nom IUPAC: 1-(4-méthylphényl)éthanone SMILES: CC(=O)C1=CC=C(C)C=C1

CAS: 57-48-7 Formule moléculaire: C6H12O6 Poids moléculaire (g/mol): 180.156 Numéro MDL: 148910 Clé InChI: BJHIKXHVCXFQLS-UYFOZJQFSA-N Synonyme: krystar 300, fructose, d, sugar, fruit, d-levulose, keto-d-fructose, arabino-hexulose, furucton, 3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one, d--fructose, d---fructose CID PubChem: 5984 ChEBI: CHEBI:48095 Nom IUPAC: (3S,4R,5)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O

CAS: 122-00-9 Formule moléculaire: C9H10O Poids moléculaire (g/mol): 134.18 Numéro MDL: MFCD00008751 Clé InChI: GNKZMNRKLCTJAY-UHFFFAOYSA-N Synonyme: p-acetotoluene, methyl p-tolyl ketone, 1-4-methylphenyl ethanone, 4-acetyltoluene, 4-methylacetophenone, melilotal, 1-p-tolylethanone, 1-p-tolyl ethanone, p-methylacetophenone, 4'-methylacetophenone CID PubChem: 8500 Nom IUPAC: 1-(4-méthylphényl)éthanone SMILES: CC(=O)C1=CC=C(C)C=C1

CAS: 127-17-3 Formule moléculaire: C3H4O3 Poids moléculaire (g/mol): 88.06 Numéro MDL: MFCD00002585 Clé InChI: LCTONWCANYUPML-UHFFFAOYSA-N Synonyme: 2-oxopropansaeure, 2-oxo-propionic acid, propanoic acid, 2-oxo, 2-oxopropanoate, 2-ketopropionic acid, alpha-ketopropionic acid, acetylformic acid, 2-oxopropionic acid, pyroracemic acid, pyruvic acid CID PubChem: 1060 ChEBI: CHEBI:32816 Nom IUPAC: 2-oxopropanoic acid SMILES: CC(=O)C(O)=O

CAS: 589-92-4 Formule moléculaire: C7H12O Poids moléculaire (g/mol): 112.17 Numéro MDL: MFCD00001643 Clé InChI: VGVHNLRUAMRIEW-UHFFFAOYSA-N Synonyme: methyl-4 cyclohexanone-1 french, 4-methyl cyclohexanone, unii-0l1r78k79s, metylocykloheksanon, methycyclohexanone, p-methyl cyclohexanone, methyl-4 cyclohexanone-1, 4-methyl-1-cyclohexanone, cyclohexanone, 4-methyl, 4-methylcyclohexanone CID PubChem: 11525 Nom IUPAC: 4-méthylcyclohexan-1-one SMILES: CC1CCC(=O)CC1

CAS: 39755-95-8 Formule moléculaire: C9H7NO3 Poids moléculaire (g/mol): 177.16 Numéro MDL: MFCD00169023 Clé InChI: DMHGXMPXHPOXBF-UHFFFAOYSA-N Synonyme: 1h-indole-2,3-dione, 5-methoxy-9ci, indole-2,3-dione, 5-methoxy, 5-methoxy-2,3-dihydro-1h-indole-2,3-dione, 5-methoxyindole-2,3-dione, 5-methoxy isatin, 5-methoxy-indole-2,3-dione, 1h-indole-2,3-dione, 5-methoxy, 5-methoxy-2,3-indolinedione, 5-methoxyindoline-2,3-dione, 5-methoxyisatin CID PubChem: 38333 Nom IUPAC: 5-methoxy-2,3-dihydro-1H-indole-2,3-dione SMILES: COC1=CC=C2NC(=O)C(=O)C2=C1

CAS: 74457-86-6 Formule moléculaire: C9H9FO2 Poids moléculaire (g/mol): 168.17 Numéro MDL: MFCD00042290 Clé InChI: PIRRWUMTIBFCCW-UHFFFAOYSA-N Synonyme: zlchem 344, ethanone, 1-2-fluoro-4-methoxyphenyl, 2-fluoro-4-methoxy-acetophenone, 2'-fluor-4'-methoxyacetophenone, 1-acetyl-2-fluoro-4-methoxybenzene, 4-acetyl-3-fluoroanisole, 1-2-fluoro-4-methoxyphenyl ethan-1-one, 1-2-fluoro-4-methoxyphenyl ethanone, 2-fluoro-4-methoxyacetophenone, 2'-fluoro-4'-methoxyacetophenone CID PubChem: 592821 Nom IUPAC: 1-(2-fluoro-4-methoxyphenyl)ethan-1-one SMILES: COC1=CC=C(C(C)=O)C(F)=C1

CAS: 94-67-7 Formule moléculaire: C7H7NO2 Poids moléculaire (g/mol): 137.14 Numéro MDL: MFCD00002120 Clé InChI: GFCNBJDXQMZOOC-WAYWQWQTSA-N Synonyme: salicylideneaminoalcohol, 2-1e-hydroxyimino methyl phenol, orihzizptztncu-vmpitwqzsa-n, orihzizptztncu-uhfffaoysa-n, e-2-hydroxybenzaldehyde oxime, 6-hydroxyamino methylidene cyclohexa-2,4-dien-1-one, 2-hydroxyimino methyl phenol, salicylaldehyde oxime, 2-hydroxybenzaldehyde oxime, salicylaldoxime CID PubChem: 6740756 Nom IUPAC: 6-[(hydroxyamino)méthylidène]cyclohexa-2,4-diène-1-one SMILES: ON\C=C1\C=CC=CC1=O

CAS: 40188-45-2 Formule moléculaire: C12H15NO3 Poids moléculaire (g/mol): 221.26 Numéro MDL: MFCD00798556 Clé InChI: FGWZEOPEZISTTR-UHFFFAOYSA-N Synonyme: n-3-acetyl-4-hydroxyphenyl butanamid, acebutolol impurity c, 5'-butyramido-2'-hydroxyacetophenone, butanamide, n-3-acetyl-4-hydroxyphenyl, 3'-acetyl-4'-hydroxybutyranilide, unii-14qjb65r4v, ac-hophe-oh, n-3-acetyl-4-hydroxyphenyl butyramide, n-3-acetyl-4-hydroxyphenyl butanamide, 2-acetyl-4-butyramidophenol CID PubChem: 736331 Nom IUPAC: N-(3-acétyl-4-hydroxyphényl)butanamide SMILES: CCCC(=O)NC1=CC=C(O)C(=C1)C(C)=O

CAS: 121-71-1 Formule moléculaire: C₈H₈O₂ Poids moléculaire (g/mol): 136.15 Numéro MDL: MFCD00002298 Clé InChI: LUJMEECXHPYQOF-UHFFFAOYSA-N Synonyme: 3-acetophenol, 3-hydroxy acetophenone, m-acetylphenol, ethanone, 1-3-hydroxyphenyl, 1-3-hydroxyphenyl ethan-1-one, 3-acetylphenol, m-hydroxyacetophenone, 1-3-hydroxyphenyl ethanone, 3-hydroxyacetophenone, 3'-hydroxyacetophenone CID PubChem: 8487 Nom IUPAC: 1-(3-hydroxyphényl)éthanone SMILES: CC(=O)C1=CC(=CC=C1)O

CAS: 1226-42-2 Formule moléculaire: C16H14O4 Poids moléculaire (g/mol): 270.284 Numéro MDL: MFCD00008405 Clé InChI: YNANGXWUZWWFKX-UHFFFAOYSA-N Synonyme: 1,2-bis 4-methoxyphenyl-1,2-ethanedione, 1,2-ethanedione, 1,2-bis 4-methoxyphenyl, p,p'-dimethoxybenzil, di-p-anisoyl, ethanedione, bis 4-methoxyphenyl, bis 4-methoxyphenyl ethanedione, 1,2-bis 4-methoxyphenyl ethane-1,2-dione, p-anisil, anisil, 4,4'-dimethoxybenzil CID PubChem: 71043 Nom IUPAC: 1,2-bis(4-méthoxyphényl)éthane-1,2-dione SMILES: COC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)OC

CAS: 5398-11-8 Numéro MDL: MFCD00023099

CAS: 149105-11-3 Formule moléculaire: C9H7F3O2 Poids moléculaire (g/mol): 204.148 Numéro MDL: MFCD01091005 Clé InChI: HKRUXZJKSFFSGF-UHFFFAOYSA-N Synonyme: 5-acetyl-2-hydroxybenzotrifluoride, intermediates-zcf02143, acmc-1bxyq, ethanone,1-4-hydroxy-3-trifluoromethyl phenyl, 1-4-hydroxy-3-trifluoromethylphenyl ethanone, 1-4-hydroxy-3-trifluoromethyl phenyl ethan-1-one, 4'-hydroxy-3'-trifluoromethyl acetophenone, 1-4-hydroxy-3-trifluoromethyl phenyl ethanone, 4-hydroxy-3-trifluoromethyl acetophenone CID PubChem: 2775109 Nom IUPAC: 1-[4-hydroxy-3-(trifluorométhyl)phényl]éthanone SMILES: CC(=O)C1=CC(=C(C=C1)O)C(F)(F)F

CAS: 13670-99-0 Formule moléculaire: C8H6F2O Poids moléculaire (g/mol): 156.13 Numéro MDL: MFCD00000328 Clé InChI: VGIIILXIQLXVLC-UHFFFAOYSA-N Synonyme: intermediates-zcf02054, pubchem4218, fr cf bv1, 1-acetyl-2,6-difluorobenzene, acetophenone, 2',6'-difluoro, ethanone, 1-2,6-difluorophenyl, 1-2,6-difluorophenyl ethan-1-one, 2,6-difluoroacetophenone, 1-2,6-difluorophenyl ethanone, 2',6'-difluoroacetophenone CID PubChem: 83643 SMILES: CC(=O)C1=C(F)C=CC=C1F

CAS: 518-82-1 Formule moléculaire: C₁₅H₁₀O₅ Poids moléculaire (g/mol): 270.23 Numéro MDL: MFCD00001207 Clé InChI: RHMXXJGYXNZAPX-UHFFFAOYSA-N Synonyme: 1,3,8-trihydroxy-6-methyl-9,10-anthraquinone, persian berry lake, archin, 3-methyl-1,6,8-trihydroxyanthraquinone, frangulic acid, rheum emodin, frangula emodin, emodol, schuttgelb, emodin CID PubChem: 3220 ChEBI: CHEBI:42223 Nom IUPAC: 1,3,8-trihydroxy-6-méthylanthracène-9,10-dione SMILES: CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O

CAS: 175135-93-0 Formule moléculaire: C10H10BrClO Poids moléculaire (g/mol): 261.543 Numéro MDL: MFCD00067862 Clé InChI: RGMFWCVOMGKIJM-UHFFFAOYSA-N Synonyme: 2-bromanyl-1-3-chloranyl-4-methyl-phenyl propan-1-one, 2-bromo-1-3-chloro-4-methylphenyl-1-propanone, 2-bromo-3'-chloro-4'methyl propiophenone, 1-propanone,2-bromo-1-3-chloro-4-methylphenyl, 2-bromo-3'-chloro-4'-methylpropiophenone, 2-bromo-1-3-chloro-4-methylphenyl propan-1-one CID PubChem: 2774950 Nom IUPAC: 2-bromo-1-(3-chloro-4-méthylphényl)propan-1-one SMILES: CC1=C(C=C(C=C1)C(=O)C(C)Br)Cl

CAS: 814-75-5 Formule moléculaire: C₄H₇BrO Poids moléculaire (g/mol): 151 Numéro MDL: MFCD00013538 Clé InChI: BNBOUFHCTIFWHN-UHFFFAOYSA-N Synonyme: 3-bromo-butan-2-on, 2-bromo-3-oxobutane, 3-bromo-2-butanon, 3-bromobutanone, 2-bromobutan-2-one, 1-bromoethyl methyl ketone, 3-bromo-butan-2-one, 2-bromo-3-butanone, 2-butanone, 3-bromo, 3-bromo-2-butanone CID PubChem: 13142 Nom IUPAC: 3-bromobutan2-one SMILES: CC(C(=O)C)Br

CAS: 99-91-2 Formule moléculaire: C8H7ClO Poids moléculaire (g/mol): 154.59 Numéro MDL: MFCD00000624 Clé InChI: BUZYGTVTZYSBCU-UHFFFAOYSA-N Synonyme: p-acetylchlorobenzene, p-chloracetophenone, 4-acetylchlorobenzene, 1-4-chlorophenyl ethan-1-one, acetophenone, 4'-chloro, ethanone, 1-4-chlorophenyl, p-chloroacetophenone, 4-chloroacetophenone, 1-4-chlorophenyl ethanone, 4'-chloroacetophenone CID PubChem: 7467 ChEBI: CHEBI:27538 Nom IUPAC: 1-(4-chlorophényl)éthanone SMILES: CC(=O)C1=CC=C(Cl)C=C1

CAS: 611-09-6 Formule moléculaire: C₈H₄N₂O₄ Poids moléculaire (g/mol): 192.13 Numéro MDL: MFCD00005720 Clé InChI: UNMYHYODJHKLOC-UHFFFAOYSA-N Synonyme: 5-nitro-2,3-dihydro-1h-indole-2,3-dione, 2,3-dihydro-5-nitroindole-2,3-dione, ccris 4031, n-nitroisatin, isatin, 5-nitro, indole-2,3-dione, 5-nitro, 1h-indole-2,3-dione, 5-nitro, 5-nitroindole-2,3-dione, 5-nitroindoline-2,3-dione, 5-nitroisatin CID PubChem: 4669250 Nom IUPAC: 5-nitro-1H-indole-2,3-dione SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=O)N2

CAS: 4594-78-9 Formule moléculaire: C9H13NO Poids moléculaire (g/mol): 151.21 Numéro MDL: MFCD00013797 Clé InChI: SPTVCXKSSRBTMN-UHFFFAOYNA-N Synonyme: 2-oxocyclohexanepropiononitrile, 2-b-cyanoethyl cyclohexanone, 2-.beta.-cyanoethyl cyclohexanone, 2-oxocyclohexanepropionitrile, cyclohexanepropionitrile, 2-oxo, 2-oxo-1-cyclohexanepropionitrile, 2-2-cyanethyl cyclohexanone, cyclohexanepropanenitrile, 2-oxo, 2-2-cyanoethyl cyclohexanone, 3-2-oxocyclohexyl propanenitrile CID PubChem: 96223 Nom IUPAC: 3-(2-oxocyclohexyl)propanenitrile SMILES: O=C1CCCCC1CCC#N

CAS: 4272-74-6 Formule moléculaire: C14H22Cl2N2O3S Poids moléculaire (g/mol): 369.30 Numéro MDL: MFCD00065395 Clé InChI: YFCUZWYIPBUQBD-ZOWNYOTGSA-N Synonyme: p-toluenesulfonamide, n-5-amino-1-chloroacetyl pentyl-, hydrochloride, l, l-n-5-amino-1-chloroacetyl pentyl-p-toluenesulfonamide hydrochloride, tosyl-l-lysyl-chloromethane hydrochloride, c14h21cln2o3s hydrochloride, na-p-tosyl-l-lysine chloromethyl ketone hydrochloride, n-alpha-p-tosyl-l-lysine chloromethyl ketone hydrochloride, 3s-1-chloro-3-tosylamido-7-amino-2-heptanone hydrochloride, s-n-7-amino-1-chloro-2-oxoheptan-3-yl-4-methylbenzenesulfonamide hydrochloride, tlck, tlck hydrochloride CID PubChem: 73093 Nom IUPAC: N-[(3S)-7-amino-1-chloro-2-oxoheptan-3-yl]-4-méthylbenzènesulfonamide ; Chlorhydrate SMILES: [H+].[Cl-].CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCCCN)C(=O)CCl

CAS: 21306-21-8 Formule moléculaire: C₆Cl₆O Poids moléculaire (g/mol): 300.77 Numéro MDL: MFCD00019431 Clé InChI: BBLJNWQYENOWPH-UHFFFAOYSA-N Synonyme: 2,4-cyclohexadien-1-one, 2,3,4,5,6,6-hexachloro, 2,4-cyclohexadien-1-one,2,3,4,5,6,6-hexachloro, hexachloro-2,4-cyclohexadiene-1-one, hexachloro-2,4-cyclohexadienone, hexachloro-c6one, hexachlorocyclohexa-2,4-dien-1-one, 2,3,4,5,6,6-hexachloro-2,4-cyclohexadienone, 2,3,4,5,6,6-hexachlorocyclohexa-2,4-dienone, 2,3,4,5,6,6-hexachloro-2,4-cyclohexadien-1-one CID PubChem: 152418 Nom IUPAC: 2,3,4,5,6,6-hexachlorocyclohexa-2,4-dièn-1-one SMILES: C1(=C(C(=O)C(C(=C1Cl)Cl)(Cl)Cl)Cl)Cl

CAS: 88-15-3 Formule moléculaire: C6H6OS Poids moléculaire (g/mol): 126.173 Numéro MDL: MFCD00005442 Clé InChI: WYJOVVXUZNRJQY-UHFFFAOYSA-N Synonyme: 2-thienyl methyl ketone, ketone, methyl 2-thienyl, 2-acetyl thiophene, ethanone, 1-2-thienyl, 2-acetothiophene, 2-acetothienone, methyl 2-thienyl ketone, 1-thiophen-2-yl-ethanone, 1-2-thienyl ethanone, 2-acetylthiophene CID PubChem: 6920 Nom IUPAC: 1-thiophène-2-yléthanone SMILES: CC(=O)C1=CC=CS1

CAS: 6781-42-6 Formule moléculaire: C10H10O2 Poids moléculaire (g/mol): 162.19 Numéro MDL: MFCD00008740 Clé InChI: VCHOFVSNWYPAEF-UHFFFAOYSA-N Synonyme: m-diacetyl benzene, 1-3-acetylphenyl ethan-1-one, 1-3-acetylphenyl ethanone, m-acetyl acetophenone, m-acetylacetophenone, benzene-1,3-bis acetyl, m-diacetylbenzene, ethanone, 1,1'-1,3-phenylene bis, 1,1'-1,3-phenylene diethanone, 1,3-diacetylbenzene CID PubChem: 23229 SMILES: CC(=O)C1=CC(=CC=C1)C(C)=O

CAS: 50916-55-7 Formule moléculaire: C9H6BrNO Poids moléculaire (g/mol): 224.06 Numéro MDL: MFCD00833267 Clé InChI: XWCGNFLHRINYCE-UHFFFAOYSA-N Synonyme: 3-bromoacetyl-benzonitrile, benzonitrile, 3-bromoacetyl, 3-2-bromo-acetyl-benzonitrile, 3-bromoacetyl benzonitrile, 3-2-bromoacetyl benzenecarbonitrile, 2-bromo-3'-cyanoacetophenone, 3-cyanophenacylbromide, 3-cyanophenacyl bromide, 3-2-bromoacetyl benzonitrile CID PubChem: 2735867 Nom IUPAC: 3-(2-bromoacetyl)benzonitrile SMILES: BrCC(=O)C1=CC=CC(=C1)C#N

CAS: 103404-75-7 Formule moléculaire: C11H7N2NaO3S2 Poids moléculaire (g/mol): 302.298 Numéro MDL: MFCD11865368 Clé InChI: BZNVUYVALNTPBG-QWLWRJJTSA-M Synonyme: Firefly Luciferin monosodium salt monohydrate CID PubChem: 133109097 Nom IUPAC: Sodium ; (2E,4R)-2-(6-oxo-1,3-benzothiazol-2-ylidène)-1,3-thiazolidine-4-carboxylate SMILES: C1C(NC(=C2N=C3C=CC(=O)C=C3S2)S1)C(=O)[O-].[Na+]

CAS: 28583-62-2 Formule moléculaire: C12H15NO3 Poids moléculaire (g/mol): 221.26 Numéro MDL: MFCD00276573 Clé InChI: RSBIKRQPSYDRFZ-UHFFFAOYSA-N Synonyme: acetamide, n-3-hydroxy-4-1-oxobutyl phenyl, acetamide,n-3-hydroxy-4-1-oxobutyl phenyl, maybridge3_006119, n-3-hydroxy-4-1-oxobutyl phenyl acetamide, n-4-butyryl-3-hydroxyphenyl acetamide, 4'-butyryl-3'-hydroxyacetanilide, n-4-butanoyl-3-hydroxyphenyl acetamide, unii-4kn634aqj7, n1-4-butyryl-3-hydroxyphenyl acetamide CID PubChem: 119989 Nom IUPAC: N-(4-butanoyl-3-hydroxyphenyl)acetamide SMILES: CCCC(=O)C1=CC=C(NC(C)=O)C=C1O