Base information
| Cat. No. | |
| CAS No. | 5399-94-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6N4O |
| Molecular Weight | 150.138 |
| Exact Mass | 150.054 |
| XLogP3 | -0.0454 |
| Mr | 39.4754 |
| PSA | 74.43 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 18 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Cc1n[nH]c2c1nc[nH]c2=O |
