Molecule ID: 15349

IUPAC Name: ethyl 2-oxo-2-phenylacetate

Description: The molecule is the ethyl ester of phenylglyoxylic acid. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It derives from a phenylglyoxylic acid.

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

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

InChI: InChI=1S/C10H10O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3

Molecular Properties:
- Polar Surface Area: 43.4 Ų
- LogP: 2.0