Basic information
- CAS
898794-88-2- Standard SMILES
Cc1ccc(C)c(CCC(=O)c2cccc(C#N)c2)c1- InChIKey
SLKIPABONSDONG-UHFFFAOYSA-N- Molecular formula
- C18H17NO
- Average molar mass
- 263.3 g/mol
- Monoisotopic mass
- 263.13101417
Names & identifiers
- Preferred name
- 3'-Cyano-3-(2,5-dimethylphenyl)propiophenone
- IUPAC
- 3-[3-(2,5-dimethylphenyl)propanoyl]benzonitrile
- English name
- 3'-Cyano-3-(2,5-dimethylphenyl)propiophenone
- Molecular formula
- C18H17NO
- Molecular weight
- 263.33
Names & synonyms
3'-CYANO-3-(2,5-DIMETHYLPHENYL)PROPIOPHENONE898794-88-23-[3-(2,5-dimethylphenyl)propanoyl]benzonitrileMFCD03843719DTXSID80644724AKOS0160217723-Cyano-3-(2,5-dimethylphenyl)propiophenoneF206473Benzonitrile, 3-[3-(2,5-dimethylphenyl)-1-oxopropyl]-
Database identifiers
- CAS
898794-88-2- PubChem CID
- 24726331
- DTXSID
DTXSID80644724
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 380
Physicochemical properties
- Boiling point
- 444.7 · 444.7±45.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…