Molecule ID: 12462821

IUPAC Name: 4-methoxy-4-oxo-3-phenylbutanoic acid

Description: The molecule is a dicarboxylic acid monoester that is methyl succinate substituted at position 2 by a phenyl group. It is a dicarboxylic acid monoester and a methyl ester. It derives from a succinic acid. It is a conjugate acid of a 4-methoxy-4-oxo-3-phenylbutanoate.

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

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

InChI: InChI=1S/C11H12O4/c1-15-11(14)9(7-10(12)13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,12,13)

Molecular Properties:
- Polar Surface Area: 63.6 Ų
- LogP: 1.2