Basic information
- CAS
74856-07-8- Standard SMILES
COc1ccc(C=Cc2c[n+]([O-])ccc2[N+](=O)[O-])cc1- InChIKey
VRXFOCZLRWFIMQ-UHFFFAOYSA-N- Molecular formula
- C14H12N2O4
- Average molar mass
- 272.26 g/mol
- Monoisotopic mass
- 272.07970687
Names & identifiers
- Preferred name
- 3-[2-(4-Methoxyphenyl)ethenyl]-4-nitro-1-oxidopyridin-1-ium
- IUPAC
- 3-[2-(4-methoxyphenyl)ethenyl]-4-nitro-1-oxidopyridin-1-ium
Database identifiers
- CAS
74856-07-8- PubChem CID
- 319875
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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