Molecule ID: 84835

IUPAC Name: methyl 2-oxo-2-phenylacetate

Description: The molecule is the methyl ester of phenylglyoxylic acid with methanol. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It is a methyl ester and an alpha-ketoester. It derives from a phenylglyoxylic acid.

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

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

InChI: InChI=1S/C9H8O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6H,1H3

Molecular Properties:
- Polar Surface Area: 43.4 Ų
- LogP: 1.7