Base information
| Cat. No. | |
| CAS No. | 139539-63-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H7N3O2 |
| Molecular Weight | 165.149 |
| Exact Mass | 165.054 |
| XLogP3 | 0.36548 |
| Mr | 39.731 |
| PSA | 68.03 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1cc(OC)nc(n1)C#N |
