Basic information
- CAS
147794-10-3- Standard SMILES
CC(O)C(C)O[N+](=O)[O-]- InChIKey
CGFCSKMZZXPWEY-UHFFFAOYSA-N- Molecular formula
- C4H9NO4
- Average molar mass
- 135.12 g/mol
- Monoisotopic mass
- 135.05315777
Names & identifiers
- Preferred name
- 3-hydroxybutan-2-yl Nitrate
- IUPAC
- 3-hydroxybutan-2-yl nitrate
Names & synonyms
147794-10-33-hydroxybutan-2-yl Nitrate2,3-Butanediol 1-nitrate3-nitroxy-2-butanolSCHEMBL27579725DTXSID10873565
Database identifiers
- CAS
147794-10-3- PubChem CID
- 86255
- DTXSID
DTXSID10873565- Nikkaji
- J623.649I
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 99.2
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…