Molecule ID: 11915

IUPAC Name: 2-oxo-2-phenylacetic acid

Description: The molecule 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 human xenobiotic metabolite and a biomarker. It derives from a glyoxylic acid. It is a conjugate acid of a phenylglyoxylate.

SMILES: O=C(O)C(=O)c1ccccc1

SELFIES: [O][=C][Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 1.3