Base information
| Cat. No. | |
| CAS No. | 52333-90-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H9N3O |
| Molecular Weight | 211.219 |
| Exact Mass | 211.075 |
| XLogP3 | 3.0532 |
| Mr | 61.6444 |
| PSA | 64.94 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 27 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Nc1cccc(c1)c1nc2c(o1)cccn2 |
