HuagongsheHuagongshe Chemistry Print Report · For research reference only
p-Tert.-butyl-2-formylbenzyl cyanide
Identifiers & Physical Properties
| Molecular formula | C13H15NO |
|---|---|
| Average molar mass | 201.26 g/mol |
| Monoisotopic mass | 201.1153641 g/mol |
| SMILES | CC(C)(C)c1ccc(CC#N)c(C=O)c1 |
| InChIKey | FDZDYFYRIBRQEQ-UHFFFAOYSA-N |
| PubChem CID | 20249156 |
Chemical & Physical Properties
| XLogP | 2.7 |
|---|---|
| Topological polar surface area | 40.9 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 3 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 268 |