Basic information
- CAS
1781-70-0- Standard SMILES
O=[N+]([O-])C1CCCCCCCCCCC1- InChIKey
WGQSPSMCVCWUDO-UHFFFAOYSA-N- Molecular formula
- C12H23NO2
- Average molar mass
- 213.32 g/mol
- Monoisotopic mass
- 213.17287898
Names & identifiers
- Preferred name
- Nitrocyclododecane
- IUPAC
- nitrocyclododecane
Names & synonyms
nitrocyclododecane1781-70-0DTXSID80303546RefChem:365717DTXCID10254678NSC 159019NSC159019SCHEMBL264241WGQSPSMCVCWUDO-UHFFFAOYSA-NNSC-159019DS-012068
Database identifiers
- CAS
1781-70-0- PubChem CID
- 292842
- DTXSID
DTXSID80303546- Nikkaji
- J788.945C
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 165
Related reactions
30 records
Compound notes
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