Basic information
- CAS
6065-18-5- Standard SMILES
CC=C(CC)[N+](=O)[O-]- InChIKey
YIBXYMGXPUOVPU-UHFFFAOYSA-N- Molecular formula
- C5H9NO2
- Average molar mass
- 115.13 g/mol
- Monoisotopic mass
- 115.06332853
Names & identifiers
- Preferred name
- 3-Nitro-pent-2-ene
- IUPAC
- 3-nitropent-2-ene
Names & synonyms
3-nitro-pent-2-eneSCHEMBL8374953
Database identifiers
- CAS
6065-18-5- PubChem CID
- 111146
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 112
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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