Compound: BENZOYLFORMIC ACID
SMILES: O=C(O)C(=O)c1ccccc1
InChIKey: FAQJJMHZNSSFSM-UHFFFAOYSA-N
Synonyms: BENZOYLFORMIC ACID, Phenylglyoxylic acid, 611-73-4, 2-Oxo-2-phenylacetic acid, Oxophenylacetic acid, Phenyloxoacetic acid, Benzeneglyoxylic acid, Phenylgloxylic acid, 2-Phenylethanoic acid, Phenylglyoxalate, alpha-Ketophenylacetic acid, Glyoxylic acid, phenyl-, alpha-Oxobenzeneacetic acid, Formic acid, benzoyl-, Benzeneacetic acid, alpha-oxo-, alpha-Oxo-benzeneacetic acid, 2PZL5A0W0M, NSC-28293, CHEBI:18280, DTXSID80209993, phenylglyoxilic acid, RefChem:929071, DTXCID30132484, 210-278-7, oxo(phenyl)acetic acid, Phenylglyoxylate, BENZOYL-FORMIC ACID, Benzeneacetic acid, a-oxo-, MFCD00002575, Benzeneacetic acid, .alpha.-oxo-, Glycopyrronium Bromide EP Impurity B, Benzoyl formic acid, .alpha.-Ketophenylacetic acid, 2-Oxo-2-phenylacetate, CHEMBL950, 2-OXO-2-PHENYLETHANOIC ACID, Oxophenylacetic Acid (Benzoylformic Acid), ACETIC ACID,OXO,PHENYL  (PHENYLGLYOXYLIC ACID), EINECS 210-278-7, NSC 28293, UNII-2PZL5A0W0M, BRN 0606718, 2-oxo-2-phenyl-acetic acid, AI3-26708, Glycopyrronium Bromide Imp. B (EP); Oxophenylacetic Acid; Benzoylformic Acid; Glycopyrronium Bromide Impurity B; Glycopyrronium Impurity B, HPGO, phenyl glyoxalic acid, phenyl glyoxylic acid, a-Oxophenylacetic acid, oxo-phenyl-acetic acid, a-Ketophenylacetic acid, a-Oxobenzeneacetic acid, ?-Oxobenzeneacetic acid, WLN: QVVR, alpha-Oxophenylacetic acid, 2-Oxo-2-phenylaceticacid, bmse000743, Phenylglyoxylic acid, 97%, SCHEMBL38943, 4-10-00-02737 (Beilstein Handbook Reference), Benzeneacetic acid, |A-oxo-, orb1299286, SCHEMBL1157496, SCHEMBL27761297, SCHEMBL28938347, Glyoxylic acid, phenyl- (8CI), HMS5085M04, NSC28293, .ALPHA.-OXOBENZENEACETIC ACID, BDBM50102174, EBC-44182, MSK2077-100W, s6053, SBB057084, AKOS009158910, MSK2077-1000W, Benzeneacetic acid, alpha-oxo- (9CI), CS-W010971, DB02279, FP26975, HY-W010255, s11007, AS-11992, SY004129, DB-002646, NS00015182, ST50824198, EN300-81664, Phenylglyoxylic acid, purum, >=98.0% (T), C02137, AH-034/32845038, Benzoylformic Acid(Discontinued,See C4X-18171), F024966, Phenylglyoxylic acid Solution in Water, 100ug/mL, Q663909, Phenylglyoxylic acid Solution in Water, 1000ug/mL, GLYCOPYRRONIUM BROMIDE IMPURITY B [EP IMPURITY], F0001-1606, Z381360894, InChI=1/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11
Theoretical properties:
molecular_formula: C8H6O3
molecular_weight: 150.13 g/mol
exact_mass: 150.031694049 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 2
heavy_atom_count: 11
topological_polar_surface_area: 54.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Phenylglyoxylic acid is a 2-oxo monocarboxylic acid that is glyoxylic acid in which the aldehyde hydrogen is substituted by a phenyl group. It has a role as a biomarker and a human xenobiotic metabolite. It is functionally related to a glyoxylic acid. It is a conjugate acid of a phenylglyoxylate.
chebi: A 2-oxo monocarboxylic acid that is glyoxylic acid in which the aldehyde hydrogen is substituted by a phenyl group.
chembl: BENZOYL FORMIC ACID is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Phenylglyoxylic acid is the organic compound with the formula C6H5C(O)CO2H. The conjugate base, known as benzoylformate, is the substrate of benzoylformate decarboxylase, a thiamine diphosphate-dependent enzyme:

benzoylformate + H+ ⇌ benzaldehyde + CO2
It is a colourless solid with a melting point of 64–66 °C and is moderately acidic (pKa = 2.15).
Phenylglyoxylic acid can be synthesized by oxidation of mandelic acid with potassium permanganate. An alternative synthesis involves hydrolysis of benzoyl cyanide.