Basic information
- CAS
20266-65-3- Standard SMILES
CC(O)CO[N+](=O)[O-]- InChIKey
OMDFJTSKBNDDRM-UHFFFAOYSA-N- Molecular formula
- C3H7NO4
- Average molar mass
- 121.09 g/mol
- Monoisotopic mass
- 121.0375077
Names & identifiers
- Preferred name
- 2-Hydroxypropyl nitrate
- IUPAC
- 2-hydroxypropyl nitrate
Names & synonyms
20266-65-31,2-Propanediol, 1-nitrate2-hydroxypropyl nitrate2-hy-droxypropyl nitrate1-(Nitrooxy)-2-propanolpropylene glycol 1-mononitrate1,2-Propanediol, 1-nitrate-SCHEMBL6354071DTXSID10873560OMDFJTSKBNDDRM-UHFFFAOYSA-N
Database identifiers
- CAS
20266-65-3- PubChem CID
- 89299
- DTXSID
DTXSID10873560- Nikkaji
- J56.079K
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 77.8
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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