Base information
| Cat. No. | |
| CAS No. | 136689-94-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6N4O |
| Molecular Weight | 174.159 |
| Exact Mass | 174.054 |
| XLogP3 | 0.6792 |
| Mr | 45.0012 |
| PSA | 71.53 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | O=Cc1cccc(c1)c1n[nH]nn1 |
