(1S,2S)-2-chlorocyclohexane-1-carboxylic acid
Basic information
- CAS
5469-30-7- Standard SMILES
O=C(O)[C@@H]1CCCC[C@@H]1Cl- InChIKey
UOYCVJQBIVUXEK-RITPCOANSA-N- Molecular formula
- C7H11ClO2
- Average molar mass
- 162.61 g/mol
- Monoisotopic mass
- 162.0447573
Names & identifiers
- Preferred name
- (1S,2S)-2-chlorocyclohexane-1-carboxylic acid
- IUPAC
- cis-(1S,2S)-2-chlorocyclohexane-1-carboxylic acid
- English name
- (1S,2S)-2-chlorocyclohexane-1-carboxylic acid
- Molecular formula
- C7H11ClO2
- Molecular weight
- 162.61
Names & synonyms
5469-30-7(1S,2S)-2-chlorocyclohexane-1-carboxylic acidRel-(1S,2S)-2-chlorocyclohexane-1-carboxylic acidNSC25313NSC-25313Cyclohexanecarboxylic acid, 2-chloro-, cis- (8CI,9CI)
Database identifiers
- CAS
5469-30-7- PubChem CID
- 230412
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Boiling point
- 279.5 · 279.5±23.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 3.95 · 3.95±0.44(Predicted)
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Compound notes
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