Basic information
- CAS
4812-22-0- Standard SMILES
CCC=C(CC)[N+](=O)[O-]- InChIKey
LDKGEUAGEISBIX-UHFFFAOYSA-N- Molecular formula
- C6H11NO2
- Average molar mass
- 129.16 g/mol
- Monoisotopic mass
- 129.07897859
Names & identifiers
- Preferred name
- 3-Nitro-3-hexene
- IUPAC
- 3-nitrohex-3-ene
Names & synonyms
3-Nitro-3-hexene4812-22-0DTXSID40209553-HEXENE, 3-NITRO-RefChem:1068341DTXCID608098993-nitrohex-3-ene3-nitro-hex-3-ene
Database identifiers
- CAS
4812-22-0- PubChem CID
- 20950
- DTXSID
DTXSID4020955
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 124
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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