Base information
| Cat. No. | |
| CAS No. | 4395-87-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H13N |
| Molecular Weight | 159.228 |
| Exact Mass | 159.105 |
| XLogP3 | 2.87608 |
| Mr | 50.544 |
| PSA | 23.79 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 25 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC(c1ccc(cc1)CC#N)C |
