Basic information
- CAS
111955-05-6- Standard SMILES
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)O- InChIKey
BOVPVRGRPPYECC-NKWVEPMBSA-N- Molecular formula
- C9H14O4
- Average molar mass
- 186.2 g/mol
- Monoisotopic mass
- 186.08920893
Names & identifiers
- Preferred name
- rac-(1R,2S)-2-(methoxycarbonyl)cyclohexane-1-carboxylic acid
- IUPAC
- cis-(1S,2R)-2-methoxycarbonylcyclohexane-1-carboxylic acid
- English name
- (1S,2R)-2-(Methoxycarbonyl)-cyclohexane-carboxylic acid
- Molecular formula
- C9H14O4
- Molecular weight
- 186.21
Names & synonyms
rac-(1R,2S)-2-(methoxycarbonyl)cyclohexane-1-carboxylic acidRefChem:872780rel-1-Methyl (1R,2S)-1,2-cyclohexanedicarboxylate855-477-588335-92-6(1S,2R)-2-(methoxycarbonyl)cyclohexane-1-carboxylic acid(1s,2r)-2-(methoxycarbonyl)cyclohexanecarboxylic acid2778-62-3(1R, 2S)-1,2Cyclohexanedicarboxylic acid-1-mehtyl esterMFCD18374521NSC53943(1S,2R)-2-methoxycarbonylcyclohexane-1-carboxylic acid
Show more names
(1S,2R)-2-(Methoxycarbonyl)-cyclohexane-carboxylic acid1,2-Cyclohexanedicarboxylic acid, 1-methyl ester, (1R,2S)-
cis-2-methoxycarbonylcyclohexanecarboxylic acidSCHEMBL727158DTXSID50288053BOVPVRGRPPYECC-NKWVEPMBSA-N2484-60-8NSC-53943AKOS034803921CS-0342671
Database identifiers
- CAS
111955-05-6、2484-60-8、2778-62-3、88335-92-6
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- storage temp.
- Store at Room Tem.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Acute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers5 total
海济医药科技（苏州）有限公司18012778619 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
南京今冉生物新材料科技有限公司+86-025-58218501; 19941513806 · [email protected]
江苏药泽医药科技有限公司18550739526 · [email protected]
Related reactions
2 records
Compound notes
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