Molecule ID: 25203288

IUPAC Name: 3-(4,6-dihydroxy-3-oxocyclohexa-1,4-dien-1-yl)prop-2-enoic acid

Description: The molecule is an alpha,beta-unsaturated monocarboxylic acid that is acrylic acid in which one of the olefinic hydrogens at position 3 has been replaced by a 4,6-dihydroxy-3-oxocyclohexa-1,4-dien-1-yl group. It has a role as a plant metabolite. It is an enone, an enol, a secondary alcohol, an alpha,beta-unsaturated monocarboxylic acid and a member of cyclohexenones. It derives from an acrylic acid.

SMILES: O=C(O)C=CC1=CC(=O)C(O)=CC1O

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

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

Molecular Properties:
- Polar Surface Area: 94.8 Ų
- LogP: -0.7