3-(1-Nitrocyclohexyl)propanenitrile
Basic information
- CAS
6972-66-3- Standard SMILES
N#CCCC1([N+](=O)[O-])CCCCC1- InChIKey
OYMHZSGOMYEDSI-UHFFFAOYSA-N- Molecular formula
- C9H14N2O2
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.10552769
Names & identifiers
- Preferred name
- 3-(1-Nitrocyclohexyl)propanenitrile
- IUPAC
- 3-(1-nitrocyclohexyl)propanenitrile
Names & synonyms
3-(1-nitrocyclohexyl)propanenitrile6972-66-3DTXSID90289600RefChem:273252DTXCID40240746NSC62183NCIOpen2_003772SCHEMBL8691912NSC-62183DS-013756
Database identifiers
- CAS
6972-66-3- PubChem CID
- 247497
- DTXSID
DTXSID90289600- Nikkaji
- J950.982H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 230
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…