Molecule ID: 165198

IUPAC Name: 3-(3,4-dihydroxyphenyl)-2-oxopropanoic acid

Description: The molecule is a 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 3,4-dihydroxyphenyl group. It has a role as a metabolite. It derives from a pyruvic acid. It is a conjugate acid of a 3,4-dihydroxyphenylpyruvate.

SMILES: O=C(O)C(=O)Cc1ccc(O)c(O)c1

SELFIES: [O][=C][Branch1][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2]

InChI: InChI=1S/C9H8O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,10-11H,4H2,(H,13,14)

Molecular Properties:
- Polar Surface Area: 94.8 Ų
- LogP: 0.6