Base information
| Cat. No. | |
| CAS No. | 552846-23-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8N4O |
| Molecular Weight | 188.186 |
| Exact Mass | 188.07 |
| XLogP3 | 1.0693 |
| Mr | 49.8082 |
| PSA | 71.53 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 23 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC(=O)c1ccc(cc1)c1n[nH]nn1 |