2-(3-Carboxypropionyl)-6-hydroxy-cyclohexa-2,4-diene carboxylic acid
Basic information
- Standard SMILES
O=C(O)CCC(=O)C1=CC=C[C@@H](O)[C@@H]1C(=O)O- InChIKey
QJYRAJSESKVEAE-PSASIEDQSA-N- Molecular formula
- C11H12O6
- Average molar mass
- 240.21 g/mol
- Monoisotopic mass
- 240.0633881
Overview
(1R,6R)-2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid is a 2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid. It is a conjugate acid of a (1R,6R)-2-(3-carboxylatopropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylate.
Names & identifiers
- Preferred name
- 2-(3-Carboxypropionyl)-6-hydroxy-cyclohexa-2,4-diene carboxylic acid
- IUPAC
- (1R,6R)-2-(3-carboxypropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid
Names & synonyms
2-(3-CARBOXYPROPIONYL)-6-HYDROXY-CYCLOHEXA-2,4-DIENE CARBOXYLIC ACIDRefChem:455317SHCHC(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate(1R,6R)-2-(3-carboxypropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid(1R,6R)-2-Succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate(1R,6R)-2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid4mydSCHEMBL29854076CHEBI:39564DTXSID201344106
Show more names
DB06864PD005834NS00069796C05817Q27095770
Database identifiers
- PubChem CID
- 5287432
- DTXSID
DTXSID201344106- ChEBI
CHEBI:39564- Nikkaji
- J2.759.808K
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 406
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
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Compound notes
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