Base information
| Cat. No. | |
| CAS No. | 16728-00-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H11NO |
| Molecular Weight | 173.211 |
| Exact Mass | 173.084 |
| XLogP3 | 2.25038 |
| Mr | 49.839 |
| PSA | 33.02 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 25 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)C1(CC1)C#N |