Basic information
- CAS
5796-89-4- Standard SMILES
CCC(=O)OO[N+](=O)[O-]- InChIKey
TXINBPKSWKFMNB-UHFFFAOYSA-N- Molecular formula
- C3H5NO5
- Average molar mass
- 135.08 g/mol
- Monoisotopic mass
- 135.01677226
Names & identifiers
- Preferred name
- Peroxypropionyl nitrate
- IUPAC
- nitro propaneperoxoate
- English name
- peroxypropionyl nitrate
- Molecular formula
- C3H5NO5
- Molecular weight
- 135.08
Names & synonyms
PEROXYPROPIONYL NITRATEPOPN5796-89-4DTXSID90206675RefChem:171843DTXCID20129166nitro propaneperoxoatePeroxide, nitro 1-oxopropyl1-(nitroperoxy)propan-1-oneSCHEMBL29387999Propionylnitro peroxidePropionyl nitro peroxide
Show more names
Propionyl(nitro) peroxideNitric peroxypropionic anhydride
Database identifiers
- CAS
5796-89-4- PubChem CID
- 22041
- DTXSID
DTXSID90206675- Nikkaji
- J1.069.562G、J401.029I
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Boiling point
- 248.72 °C · 248.72°C (rough estimate)
- Density
- 1.8309 · 1.8309 (rough estimate)
- refractive index
- 1.494 · 1.4940 (estimate)
- form
- A liquid
- Henry's Law Constant
- 1.6 · 1.6×10-2 mol/(m3Pa) at 25℃, Easterbrook et al. (2023)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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