Basic information
- CAS
124855-10-3- Standard SMILES
CC(=O)C(C)O[N+](=O)[O-]- InChIKey
KFRUNLQRYXGRRS-UHFFFAOYSA-N- Molecular formula
- C4H7NO4
- Average molar mass
- 133.1 g/mol
- Monoisotopic mass
- 133.0375077
Names & identifiers
- Preferred name
- 3-oxobutan-2-yl Nitrate
- IUPAC
- 3-oxobutan-2-yl nitrate
Names & synonyms
3-oxobutan-2-yl Nitrate124855-10-33-nitrooxy-2-butanone2-Butanone, 3-(nitrooxy)-SCHEMBL11894817DTXSID50924949
Database identifiers
- CAS
124855-10-3- PubChem CID
- 86205
- DTXSID
DTXSID50924949- Nikkaji
- J1.596.718H
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 127
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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