1.0 2011-09-21 00:18:06 UTC 2025-11-19 02:42:18 UTC FDB022696 Phenylglyoxylic acid Phenylglyoxylic acid is one of the major urinary metabolites of toluene, o-, m- and p-xylenes, styrene and ethylbenzene. (PMID 3782394) For the biological monitoring of workers exposure to solvent used in industry, its concentration is measured in human urine samples. (PMID 2739101) [HMDB] 2-oxo-2-Phenylacetate 2-Oxo-2-phenylacetic acid a-Ketophenylacetate a-Ketophenylacetic acid a-oxo-Benzeneacetate a-oxo-Benzeneacetic acid a-Oxobenzeneacetic acid alpha-Ketophenylacetate alpha-Ketophenylacetic acid alpha-oxo-Benzeneacetate alpha-oxo-Benzeneacetic acid alpha-Oxobenzeneacetic acid Benzeneglyoxylate Benzeneglyoxylic acid BENZOYL-formate benzoyl-Formic acid Benzoylformate benzoylformic acid Oxophenylacetic acid Phenylgloxylic acid Phenylglyoxylate Phenylglyoxylic acid Phenyloxoacetic acid α-ketophenylacetate α-ketophenylacetic acid α-oxo-benzeneacetate α-oxo-benzeneacetic 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-). Benzoyl derivatives Organic compounds Benzenoids Benzene and substituted derivatives Benzoyl derivatives Aromatic homomonocyclic compounds 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 2-oxo monocarboxylic acid Solid logp 1.16 ALOGPS logs -1.79 ALOGPS solubility 2.42e+00 g/l 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 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::MsIr 1344 Specdb::MsIr 1345 Specdb::MsIr 1346 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 HMDB01587 18280 173 #<Reference:0x000055ce315a7508> #<Reference:0x000055ce315a7328> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823