Molecule ID: 57339280

IUPAC Name: 3-(4-hydroxycyclohexa-1,5-dien-1-yl)-2-oxopropanoic acid

Description: The molecule is a 2-oxo monocarboxylic acid that is pyruvic acid substituted at position 3 by a 4-hydroxycyclohexa-1,5-dien-1-yl group It is a 2-oxo monocarboxylic acid and a secondary alcohol. It derives from a pyruvic acid. It is a conjugate acid of a 3,4-dihydro-4-hydroxyphenylpyruvate.

SMILES: O=C(O)C(=O)CC1=CCC(O)C=C1

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

InChI: InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-3,7,10H,4-5H2,(H,12,13)

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 0.0