HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-[(3-Ethoxyphenyl)methyl]propanedinitrile
Propanedinitrile, 2-[(3-ethoxyphenyl)methyl]- · Propanedinitrile, [(3-ethoxyphenyl)methyl]- (9CI)
![2-[(3-Ethoxyphenyl)methyl]propanedinitrile molecular structure](/img/chemical/178645708.png)
Identifiers & Physical Properties
| CAS No. | 771560-29-3 |
|---|---|
| Molecular formula | C12H12N2O |
| Average molar mass | 200.24 g/mol |
| Monoisotopic mass | 200.09496301 g/mol |
| SMILES | CCOc1cccc(CC(C#N)C#N)c1 |
| InChIKey | GOHRFGDXZBLNKK-UHFFFAOYSA-N |
| PubChem CID | 45091631 |
Chemical & Physical Properties
| XLogP | 2.2 |
|---|---|
| Topological polar surface area | 56.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 4 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 266 |