Base information
| Cat. No. | |
| CAS No. | 152775-45-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H11NO |
| Molecular Weight | 161.2 |
| Exact Mass | 161.084 |
| XLogP3 | 2.18368 |
| Mr | 47.581 |
| PSA | 33.02 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1c(C)cc(cc1C)C#N |
