Base information
| Cat. No. | |
| CAS No. | 70978-37-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H9N3O |
| Molecular Weight | 163.177 |
| Exact Mass | 163.075 |
| XLogP3 | 1.95826 |
| Mr | 42.721 |
| PSA | 58.98 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)CN=[N+]=[N-] |
