Basic information
- Standard SMILES
O=C(O)[C@@]1(O)C=CC=C[C@@H]1O- InChIKey
PUCYIVFXTPWJDD-CAHLUQPWSA-N- Molecular formula
- C7H8O4
- Average molar mass
- 156.14 g/mol
Overview
(1R,6S)-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid is a cis-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid. It is a conjugate acid of a (1R,6S)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate. It is an enantiomer of a (1S,6R)-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid.
Names & identifiers
- Preferred name
- (1R,6S)-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid
- IUPAC
- (1R,6S)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid
Names & synonyms
(1R,6S)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid(1R,6S)-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acidcis-1,6-Dihydroxy-2,4-cyclohexadiene-1-carboxylic acidCHEBI:37888(1R,2S)-1,2-dihydroxycyclohexa-3,5-diene-1-carboxylic acidRefChem:68372cis-1,2-dihydroxycyclohexa-3,5-diene-1-carboxylaterel-(1R,6S)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acidPUCYIVFXTPWJDD-CAHLUQPWSA-NC06321Q271173042,4-Cyclohexadiene-1-carboxylic acid, 1,6-dihydroxy-, (1R,6S)-rel-
Database identifiers
- PubChem CID
- 440977
- ChEBI
CHEBI:37888- Nikkaji
- J1.936.395C
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 231
Related reactions
3 records
Compound notes
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