Basic information
- CAS
88791-56-4- Standard SMILES
COc1cc(C)cc(C)c1C#[N+][O-]- InChIKey
VXSQRWTTZQEQTQ-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- 2-Methoxy-4,6-dimethylbenzonitrile oxide
- IUPAC
- 2-methoxy-4,6-dimethylbenzonitrile oxide
Names & synonyms
2-Methoxy-4,6-dimethylbenzonitrile oxide88791-56-4DTXSID10530964
Database identifiers
- CAS
88791-56-4- PubChem CID
- 13237456
- DTXSID
DTXSID10530964
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 39.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 228
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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