Molecule ID: 21145165

IUPAC Name: 1,6-dihydroxy-2-methylcyclohexa-2,4-diene-1-carboxylate

Description: The molecule is the conjugate base of 1,6-dihydroxy-2-methylcyclohexa-2,4-dienecarboxylic acid; major species at pH 7.3. It is a conjugate base of a 1,6-dihydroxy-2-methylcyclohexa-2,4-dienecarboxylic acid.

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

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

InChI: InChI=1S/C8H10O4/c1-5-3-2-4-6(9)8(5,12)7(10)11/h2-4,6,9,12H,1H3,(H,10,11)/p-1

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 0.6