Basic information
- CAS
21981-49-7- Standard SMILES
CCCCC(C)O[N+](=O)[O-]- InChIKey
JLGBOJJVQLNMGV-UHFFFAOYSA-N- Molecular formula
- C6H13NO3
- Average molar mass
- 147.17 g/mol
- Monoisotopic mass
- 147.08954328
Names & identifiers
- Preferred name
- Hexan-2-yl Nitrate
- IUPAC
- hexan-2-yl nitrate
Names & synonyms
2-Hexyl nitrateHexan-2-yl Nitrate21981-49-72-Hexanol, 2-nitrateSCHEMBL6014859SCHEMBL29072245DTXSID00944571
Database identifiers
- CAS
21981-49-7- PubChem CID
- 89564
- DTXSID
DTXSID00944571- Nikkaji
- J623.648K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 99.7
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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