Base information
| Cat. No. | |
| CAS No. | 1332581-19-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H10N2O |
| Molecular Weight | 162.188 |
| Exact Mass | 162.079 |
| XLogP3 | 1.68158 |
| Mr | 46.9547 |
| PSA | 45.05 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CNc1cccc(c1C#N)OC |
