Base information
| Cat. No. | |
| CAS No. | 1269968-25-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H12N2O |
| Molecular Weight | 176.215 |
| Exact Mass | 176.095 |
| XLogP3 | 1.90478 |
| Mr | 49.5294 |
| PSA | 59.04 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 25 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COC[C@@H](c1ccc(cc1)C#N)N |
