Molecule ID: 181659

IUPAC Name: 3-oxo-3-phenylmethoxypropanoic acid

Description: The molecule is a dicarboxylic acid monoester obtained by the formal condensation of one of the carboxy groups of malonic acid with benzyl alcohol. It has a role as a human urinary metabolite. It is a dicarboxylic acid monoester and a benzyl ester. It derives from a malonic acid and a benzyl alcohol.

SMILES: O=C(O)CC(=O)OCc1ccccc1

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

InChI: InChI=1S/C10H10O4/c11-9(12)6-10(13)14-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)

Molecular Properties:
- Polar Surface Area: 63.6 Ų
- LogP: 1.7