(1S,2R)-2-hydroxycyclohexane-1-carboxylic acid
Basic information
- CAS
1655-01-2- Standard SMILES
O=C(O)[C@H]1CCCC[C@H]1O- InChIKey
SNKAANHOVFZAMR-NTSWFWBYSA-N- Molecular formula
- C7H12O3
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.07864424
Names & identifiers
- Preferred name
- (1S,2R)-2-hydroxycyclohexane-1-carboxylic acid
- IUPAC
- cis-(1S,2R)-2-hydroxycyclohexane-1-carboxylic acid
Names & synonyms
(1S,2R)-2-hydroxycyclohexane-1-carboxylic acid1655-01-22-hydroxy-cyclohexanecarboxylic acidRefChem:393952636-425-9965-837-4(1S,2R)-2-hydroxycyclohexane-1-carboxylicacidrac-(1R,2S)-2-hydroxycyclohexane-1-carboxylic acid28131-61-5SCHEMBL14521507AKOS006377025EN300-97465
Show more names
EN300-6486641
Database identifiers
- CAS
1655-01-2- PubChem CID
- 853570
- EC Number
- 965-837-4
- Nikkaji
- J237.993G
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
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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