Base information
| Cat. No. | |
| CAS No. | 688782-00-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8N2O |
| Molecular Weight | 148.162 |
| Exact Mass | 148.064 |
| XLogP3 | 1.9048 |
| Mr | 44.4267 |
| PSA | 41.25 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Cc1c[nH]c2c1ccc[n+]2[O-] |
