Molecule ID: 1548898

IUPAC Name: 2-oxo-2-phenylacetate

Description: The molecule is a member of the class of glyoxylates, that is obtained by removal of a proton from the carboxylic acid group of phenylglyoxylic acid. It has a role as a human xenobiotic metabolite. It derives from a glyoxylate. It is a conjugate base of a phenylglyoxylic acid.

SMILES: O=C([O-])C(=O)c1ccccc1

SELFIES: [O][=C][Branch1][C][O-1][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)/p-1

Molecular Properties:
- Polar Surface Area: 57.2 Ų
- LogP: 2.4