Base information
| Cat. No. | |
| CAS No. | 561305-79-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H15NO |
| Molecular Weight | 201.264 |
| Exact Mass | 201.115 |
| XLogP3 | 3.19928 |
| Mr | 60.4205 |
| PSA | 40.86 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 30 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CCCCC(C(=O)c1ccccc1)C#N |
