1.0 2016-09-30 22:47:51 UTC 2020-04-22 15:08:46 UTC BMDB0001587 BMDB01587 Phenylglyoxylic acid 2-oxo-2-Phenylacetate 2-oxo-2-Phenylacetic acid 2-Phenylethanoic acid alpha-Ketophenylacetic acid alpha-oxo-Benzeneacetic acid Benzeneglyoxylic acid BENZOYL-formIC ACID Benzoylformate Benzoylformic acid Phenylglyoxylate 2-Phenylethanoate a-Ketophenylacetate a-Ketophenylacetic acid alpha-Ketophenylacetate Α-ketophenylacetate Α-ketophenylacetic acid a-oxo-Benzeneacetate a-oxo-Benzeneacetic acid alpha-oxo-Benzeneacetate Α-oxo-benzeneacetate Α-oxo-benzeneacetic acid Benzeneglyoxylate BENZOYL-formate a-Oxobenzeneacetic acid alpha-Oxobenzeneacetic acid Oxophenylacetic acid Phenylgloxylic acid Phenyloxoacetic acid Phenylglyoxilic acid Phenylglyoxylic acid, calcium salt Phenylglyoxylic acid, potassium salt Phenylglyoxylic acid, sodium salt Phenylglyoxylic hydrochloride Phenylglyoxylic acid C8H6O3 150.1314 150.031694058 2-oxo-2-phenylacetic acid benzoylformic acid 611-73-4 OC(=O)C(=O)C1=CC=CC=C1 InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11) FAQJJMHZNSSFSM-UHFFFAOYSA-N belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). Organic compounds Benzenoids Benzene and substituted derivatives Benzoyl derivatives Benzoyl derivatives Alpha-hydroxy ketones Alpha-keto acids and derivatives Aryl ketones Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Alpha-hydroxy ketone Alpha-keto acid Aromatic homomonocyclic compound Aryl ketone Benzoyl Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Keto acid Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Aromatic homomonocyclic compounds 2-oxo monocarboxylic acid Solid melting_point 66 °C water_solubility 920.0 mg/mL at 0 °C logp 1.16 ALOGPS logs -1.79 ALOGPS logp 1.49 ChemAxon pka_strongest_acidic 2.69 ChemAxon pka_strongest_basic -9.5 ChemAxon iupac 2-oxo-2-phenylacetic acid ChemAxon average_mass 150.1314 ChemAxon mono_mass 150.031694058 ChemAxon smiles OC(=O)C(=O)C1=CC=CC=C1 ChemAxon formula C8H6O3 ChemAxon inchi InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11) ChemAxon inchikey FAQJJMHZNSSFSM-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 38.26 ChemAxon polarizability 14.07 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 1344 Specdb::MsIr 1345 Specdb::MsIr 1346 Specdb::CMs 6688 Specdb::CMs 31761 Specdb::CMs 31762 Specdb::CMs 31763 Specdb::CMs 38133 Specdb::CMs 99700 Specdb::CMs 99701 Specdb::CMs 99702 Specdb::CMs 137243 Specdb::CMs 144977 Specdb::NmrOneD 1738 Specdb::NmrOneD 9622 Specdb::NmrOneD 9623 Specdb::NmrOneD 9624 Specdb::NmrOneD 9625 Specdb::NmrOneD 9626 Specdb::NmrOneD 9627 Specdb::NmrOneD 9628 Specdb::NmrOneD 9629 Specdb::NmrOneD 9630 Specdb::NmrOneD 9631 Specdb::NmrOneD 9632 Specdb::NmrOneD 9633 Specdb::NmrOneD 9634 Specdb::NmrOneD 9635 Specdb::NmrOneD 9636 Specdb::NmrOneD 9637 Specdb::NmrOneD 9638 Specdb::NmrOneD 9639 Specdb::NmrOneD 9640 Specdb::NmrOneD 9641 Specdb::MsMs 1660 Specdb::MsMs 1661 Specdb::MsMs 1662 Specdb::MsMs 5412 Specdb::MsMs 5413 Specdb::MsMs 5414 Specdb::MsMs 5415 Specdb::MsMs 5416 Specdb::MsMs 249129 Specdb::MsMs 249130 Specdb::MsMs 249131 Specdb::MsMs 269070 Specdb::MsMs 269071 Specdb::MsMs 269072 Specdb::MsMs 437355 Specdb::MsMs 437356 Specdb::MsMs 437357 Specdb::MsMs 437358 Specdb::MsMs 437359 Specdb::MsMs 2252489 Specdb::MsMs 2253980 Specdb::MsMs 2254596 Specdb::MsMs 2255995 Specdb::MsMs 2342196 Specdb::MsMs 2342197 FDB022696 C02137 DB02279 11421 C00052384 11915 18280 PHENYLGLYOXYLATE Phenylglyoxylic_acid Hurd, Charles D.; McNamee, R. W.; Green, Frank O. Benzoylformic acid from styrene. Journal of the American Chemical Society (1939), 61 2979-80.