Molecule ID: 21124401

IUPAC Name: 3-(3,4-dihydroxyphenyl)-2-oxopropanoate

Description: The molecule is a 2-oxo monocarboxylic acid anion that results from the removal of a proton from the carboxylic acid group of 3,4-dihydroxyphenylpyruvic acid. It derives from a pyruvate. It is a conjugate base of a 3,4-dihydroxyphenylpyruvic acid.

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-1][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)/p-1

Molecular Properties:
- Polar Surface Area: 97.7 Ų
- LogP: 1.0