Molecule ID: 5459893

IUPAC Name: (1R,6S)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid

Description: The molecule is the (1R,6S)-diastereomer of 1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid. It is a conjugate acid of a (1R,6S)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylate. It is an enantiomer of a (1S,6R)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid.

SMILES: CC1=C[C@H](O)[C@@](O)(C(=O)O)C=C1

SELFIES: [C][C][=C][C@H1][Branch1][C][O][C@@][Branch1][C][O][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][O]

InChI: InChI=1S/C8H10O4/c1-5-2-3-8(12,7(10)11)6(9)4-5/h2-4,6,9,12H,1H3,(H,10,11)/t6-,8+/m0/s1

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