Basic information
- CAS
134611-50-0- Standard SMILES
COc1cc(C(C)=O)cc(C#N)c1OC- InChIKey
KYMXIFPGMCNFSS-UHFFFAOYSA-N- Molecular formula
- C11H11NO3
- Average molar mass
- 205.21 g/mol
- Monoisotopic mass
- 205.07389321
Names & identifiers
- Preferred name
- 5-Acetyl-2,3-dimethoxybenzonitrile
- IUPAC
- 5-acetyl-2,3-dimethoxybenzonitrile
Names & synonyms
5-acetyl-2,3-dimethoxybenzonitrile134611-50-0SCHEMBL7368999KYMXIFPGMCNFSS-UHFFFAOYSA-NDTXSID6012980065'-cyano-3',4'-dimethoxyacetophenone
Database identifiers
- CAS
134611-50-0- PubChem CID
- 21458980
- DTXSID
DTXSID601298006
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 281
Related reactions
13 records
Compound notes
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