3-Octanol, nitrate
Basic information
- CAS
82944-62-5- Standard SMILES
CCCCCC(CC)O[N+](=O)[O-]- InChIKey
KDICWCURMCOQTP-UHFFFAOYSA-N- Molecular formula
- C8H17NO3
- Average molar mass
- 175.23 g/mol
- Monoisotopic mass
- 175.1208434
Names & identifiers
- Preferred name
- 3-Octanol, nitrate
- IUPAC
- octan-3-yl nitrate
Names & synonyms
octan-3-yl nitrate82944-62-53-Octanol, nitrate3-Octyl nitrateEthyl-Hexyl-NitratSCHEMBL1258974KDICWCURMCOQTP-UHFFFAOYSA-NDTXSID401003015
Database identifiers
- CAS
82944-62-5- PubChem CID
- 93476
- DTXSID
DTXSID401003015- Nikkaji
- J614.761E
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 122
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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