Basic information
- CAS
76207-57-3- Standard SMILES
N=C1O[C@@H]2CCCC[C@H]2O1- InChIKey
WCLTUNKJFLXVFM-PHDIDXHHSA-N- Molecular formula
- C7H11NO2
- Average molar mass
- 141.17 g/mol
- Monoisotopic mass
- 141.07897859
Overview
RN given refers to trans-isomer
Names & identifiers
- Preferred name
- 1,2-Cyclohexylimidocarbonate
- IUPAC
- (3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-2-imine
Names & synonyms
1,2-Cyclohexylimidocarbonate1,3-Benzodioxol-2-imine, hexahydro-, trans-76207-57-3DTXSID20227070RefChem:71764DTXCID20149561(3aR,7aR)-Hexahydro-2H-1,3-benzodioxol-2-imine
Database identifiers
- CAS
76207-57-3- PubChem CID
- 192069
- DTXSID
DTXSID20227070
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 142
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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