Basic information
- CAS
4812-23-1- Standard SMILES
CC=C(C)[N+](=O)[O-]- InChIKey
DAHZYRVPEHDLPG-UHFFFAOYSA-N- Molecular formula
- C4H7NO2
- Average molar mass
- 101.1 g/mol
- Monoisotopic mass
- 101.04767847
Names & identifiers
- Preferred name
- 2-Nitro-but-2-ene
- IUPAC
- 2-nitrobut-2-ene
Names & synonyms
2-nitro-but-2-eneSCHEMBL5359120DTXSID901032289
Database identifiers
- CAS
4812-23-1- PubChem CID
- 20951
- DTXSID
DTXSID901032289
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 101
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Related reactions
1 records
Compound notes
Loading…