Basic information
- CAS
24155-39-3- Standard SMILES
COc1ccc(C(=O)C[NH+]2C=CN=C2)cc1.O=[N+]([O-])[O-]- InChIKey
IMHJHBQYKOTFIG-UHFFFAOYSA-O- Molecular formula
- C12H13N3O5
- Average molar mass
- 279.25 g/mol
- Monoisotopic mass
- 279.08552052
Names & identifiers
- Preferred name
- Acetophenone, 2-(1-imidazolyl)-4'-methoxy-, nitrate
- IUPAC
- 2-(1H-imidazol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone nitrate
Names & synonyms
ACETOPHENONE, 2-(1-IMIDAZOLYL)-4'-METHOXY-, NITRATERefChem:1075912N-(4-Methoxyphenacyl)imidazole nitrate24155-39-3
Database identifiers
- CAS
24155-39-3- PubChem CID
- 32236
Properties
Computed structural properties
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…