(1R,2S)-2-hydroxycyclohexane-1-carboxylic acid
Basic information
- CAS
1655-00-1- Standard SMILES
O=C(O)[C@@H]1CCCC[C@@H]1O- InChIKey
SNKAANHOVFZAMR-RITPCOANSA-N- Molecular formula
- C7H12O3
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.07864424
Names & identifiers
- Preferred name
- (1R,2S)-2-hydroxycyclohexane-1-carboxylic acid
- IUPAC
- cis-(1R,2S)-2-hydroxycyclohexane-1-carboxylic acid
- English name
- (1R,2S)-2-Hydroxycyclohexanecarboxylic acid
- Molecular formula
- C7H12O3
- Molecular weight
- 144.17
Names & synonyms
(1R,2S)-2-hydroxycyclohexane-1-carboxylic acid1655-00-1RefChem:393282988-090-6rel-(1R,2S)-2-Hydroxycyclohexanecarboxylic acid28131-61-5SCHEMBL7079563cis-2-hydroxycyclohexanecarboxylic acidEN300-270314(1R*,2S*)-2-hydroxy-1-cyclohexanecarboxylic acid(1R,2S)-2-Hydroxycyclohexanecarboxylic acidCyclohexanecarboxylic acid, 2-hydroxy-, (1R,2S)-
Database identifiers
- CAS
1655-00-1- PubChem CID
- 853572
- EC Number
- 988-090-6
- Nikkaji
- J237.994E
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Melting point
- 76 · 76-76.5 °C
- Boiling point
- 96.8 °C · 96.8 °C(Press: 0.1 Torr)
- Density
- 1.246 · 1.246±0.06 g/cm3(Predicted)
- pka
- 4.72 · 4.72±0.44(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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Related reactions
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Compound notes
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