Basic information
- Standard SMILES
O=[N+]([O-])CCCCCC[N+](=O)[O-]- InChIKey
YXBHCFHBPVLHEZ-UHFFFAOYSA-N- Molecular formula
- C6H12N2O4
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.07970686
Names & identifiers
- Preferred name
- 1,6-Dinitrohexane
- IUPAC
- 1,6-dinitrohexane
Names & synonyms
1,6-Dinitrohexane4286-47-9Hexane, 1,6-dinitro-NSC36761,6-Dinitrohexane #SCHEMBL719520SCHEMBL5410766DTXSID20277717NSC 3676NSC-3676SBB001656STK761213
Show more names
AKOS005616172ST4049822
Database identifiers
- CAS
4286-47-9- PubChem CID
- 220656
- DTXSID
DTXSID20277717
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 131
Related reactions
1 records
Linked notes
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