Base information
| Cat. No. | |
| CAS No. | 138479-54-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7N3O2 |
| Molecular Weight | 189.171 |
| Exact Mass | 189.054 |
| XLogP3 | 0.9655 |
| Mr | 48.3183 |
| PSA | 68.01 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OC(=O)c1ccccc1n1cncn1 |
