1-hydroxybutan-2-yl Nitrate
Basic information
- CAS
147794-12-5- Standard SMILES
CCC(CO)O[N+](=O)[O-]- InChIKey
YXMNEYKMHSBVTD-UHFFFAOYSA-N- Molecular formula
- C4H9NO4
- Average molar mass
- 135.12 g/mol
- Monoisotopic mass
- 135.05315777
Names & identifiers
- Preferred name
- 1-hydroxybutan-2-yl Nitrate
- IUPAC
- 1-hydroxybutan-2-yl nitrate
Names & synonyms
147794-12-51,2-Butanediol 2-nitrate1-hydroxybutan-2-yl Nitrate2-Nitrooxy-1-butanolSCHEMBL25620921DTXSID40873558
Database identifiers
- CAS
147794-12-5- PubChem CID
- 86257
- DTXSID
DTXSID40873558- Nikkaji
- J623.651K
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 89.1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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