Molecule ID: 9543121

IUPAC Name: (1R,6S)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate

Description: The molecule is the (1R,6S)-enantiomer of cis-1,6-dihydroxycyclohexa-2,4-dienecarboxylate. It is a conjugate base of a (1R,6S)-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid. It is an enantiomer of a (1S,6R)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate.

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

SELFIES: [O][=C][Branch1][C][O-1][C@@][Branch1][C][O][C][=C][C][=C][C@@H1][Ring1][#Branch1][O]

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

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 0.7