Base information
| Cat. No. | |
| CAS No. | 81259-56-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H11NO2 |
| Molecular Weight | 177.2 |
| Exact Mass | 177.079 |
| XLogP3 | 1.96558 |
| Mr | 48.948 |
| PSA | 42.25 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCOc1ccc(cc1OC)C#N |
