5-Nitrohexanenitrile
Basic information
- CAS
5461-13-2- Standard SMILES
CC(CCCC#N)[N+](=O)[O-]- InChIKey
CTQYODVEVIBVOK-UHFFFAOYSA-N- Molecular formula
- C6H10N2O2
- Average molar mass
- 142.16 g/mol
- Monoisotopic mass
- 142.07422757
Names & identifiers
- Preferred name
- 5-Nitrohexanenitrile
- IUPAC
- 5-nitrohexanenitrile
Names & synonyms
5-NITROHEXANENITRILE5461-13-2NSC-1083Hexanenitrile, 5-nitro-NSC1083DTXSID802771925452FJ3C3W
Database identifiers
- CAS
5461-13-2- PubChem CID
- 219604
- DTXSID
DTXSID80277192- UNII
- 5452FJ3C3W
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 153
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Compound notes
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