Molecule ID: 441157

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

Description: The molecule is a cyclohexadienecarboxylic acid that is cyclohexa-2,4-diene-1-carboxylic acid substituted by hydroxy group at positions 1 and 6 and a methyl group at position 2. It is a conjugate acid of a 1,6-dihydroxy-2-methylcyclohexa-2,4-diene-1-carboxylate.

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]

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)

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 0.0