Basic information
- CAS
27746-48-1- Standard SMILES
CCCC(=O)OO[N+](=O)[O-]- InChIKey
HZUMMZVMNQSPFF-UHFFFAOYSA-N- Molecular formula
- C4H7NO5
- Average molar mass
- 149.1 g/mol
- Monoisotopic mass
- 149.03242232
Names & identifiers
- Preferred name
- Peroxide, nitro 1-oxobutyl
- IUPAC
- nitro butaneperoxoate
Names & synonyms
27746-48-1Peroxide, nitro 1-oxobutyl1-(nitroperoxy)butan-1-oneSCHEMBL2011080DTXSID80182095
Database identifiers
- CAS
27746-48-1- PubChem CID
- 147183
- DTXSID
DTXSID80182095- Nikkaji
- J951.430I
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 128
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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