HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-[2-(Cyanomethyl)-4,5-dimethylphenyl]acetonitrile
![2-[2-(Cyanomethyl)-4,5-dimethylphenyl]acetonitrile molecular structure](/img/chemical/305142.png)
Identifiers & Physical Properties
| CAS No. | 24006-87-9 |
|---|---|
| Molecular formula | C12H12N2 |
| Average molar mass | 184.24 g/mol |
| Monoisotopic mass | 184.10004839 g/mol |
| SMILES | Cc1cc(CC#N)c(CC#N)cc1C |
| InChIKey | HNLKFFIZNUYEFJ-UHFFFAOYSA-N |
| PubChem CID | 305142 |
| DTXSID | DTXSID80308071 |
Chemical & Physical Properties
| XLogP | 2 |
|---|---|
| Topological polar surface area | 47.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 247 |