Base information
| Cat. No. | |
| CAS No. | 138479-53-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7N3O |
| Molecular Weight | 173.171 |
| Exact Mass | 173.059 |
| XLogP3 | 1.0798 |
| Mr | 46.7465 |
| PSA | 47.78 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | O=Cc1ccccc1n1cncn1 |
