Basic information
- CAS
1654-67-7- Standard SMILES
O=C(O)[C@@H]1CCCC[C@H]1O- InChIKey
SNKAANHOVFZAMR-PHDIDXHHSA-N- Molecular formula
- C7H12O3
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.07864424
Names & identifiers
- Preferred name
- rac-(1R,2R)-2-hydroxycyclohexane-1-carboxylic acid
- IUPAC
- trans-(1R,2R)-2-hydroxycyclohexane-1-carboxylic acid
Names & synonyms
rac-(1R,2R)-2-hydroxycyclohexane-1-carboxylic acidRefChem:872573859-302-3(1R,2R)-2-hydroxycyclohexane-1-carboxylic acid1654-67-717502-32-8rel-(1R,2R)-2-Hydroxycyclohexanecarboxylic acidSCHEMBL3339166trans-2-hydroxycyclohexanecarboxylic acid(1R,2R)-2-hydroxycyclohexane-1-carboxylicacidG52299EN300-6499500
Show more names
EN300-6986717Z3326512742
Database identifiers
- CAS
1654-67-7、17502-32-8- PubChem CID
- 853571
- EC Number
- 117-709-7、859-302-3
- Nikkaji
- J1.474.776A
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
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.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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