Molecule ID: 5460303

IUPAC Name: 1-(2-carboxylato-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylate

Description: The molecule is a dicarboxylic acid dianion that is the conjugate base of prephenic acid; major species at pH 7.3. It has a role as an Escherichia coli metabolite and a plant metabolite. It is a conjugate base of a prephenic acid.

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

SELFIES: [O][=C][Branch1][C][O-1][C][=Branch1][C][=O][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][Branch1][C][O][C][=C][Ring1][#Branch2]

InChI: InChI=1S/C10H10O6/c11-6-1-3-10(4-2-6,9(15)16)5-7(12)8(13)14/h1-4,6,11H,5H2,(H,13,14)(H,15,16)/p-2

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: 0.8