Basic information
- CAS
1016547-95-7- Standard SMILES
CC/C=C(/CC)[N+](=O)[O-]- InChIKey
LDKGEUAGEISBIX-WAYWQWQTSA-N- Molecular formula
- C6H11NO2
- Average molar mass
- 129.16 g/mol
- Monoisotopic mass
- 129.07897859
Names & identifiers
- Preferred name
- (3Z)-3-nitrohex-3-ene
- IUPAC
- (Z)-3-nitrohex-3-ene
Names & synonyms
(3Z)-3-nitrohex-3-eneBRN 17221384-01-00-00840 (Beilstein Handbook Reference)DTXSID508598881016547-95-7
Database identifiers
- CAS
1016547-95-7、4812-22-0- PubChem CID
- 5284432
- DTXSID
DTXSID50859888- Nikkaji
- J2.594.977C、J36.841E
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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