Molecule ID: 9964159

IUPAC Name: (5S,6S)-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid

Description: The molecule is the (2S,3S)-diastereomer of 2,3-dihydroxy-2,3-dihydrobenzoic acid. It is a conjugate acid of a (2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoate. It is an enantiomer of a (2R,3R)-2,3-dihydroxy-2,3-dihydrobenzoic acid.

SMILES: O=C(O)C1=CC=C[C@H](O)[C@H]1O

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

InChI: InChI=1S/C7H8O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,5-6,8-9H,(H,10,11)/t5-,6-/m0/s1

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: -0.3