Molecule ID: 57339279

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

Description: The molecule is a 2-oxo monocarboxylic acid anion that is the conjugate base of 3,4-dihydro-4-hydroxyphenylpyruvic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It derives from a pyruvate. It is a conjugate base of a 3,4-dihydro-4-hydroxyphenylpyruvic acid.

SMILES: O=C([O-])C(=O)CC1=CCC(O)C=C1

SELFIES: [O][=C][Branch1][C][O-1][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)/p-1

Molecular Properties:
- Polar Surface Area: 77.4 Ų
- LogP: 0.6