Base information
| Cat. No. | |
| CAS No. | 208772-67-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6N4O2 |
| Molecular Weight | 166.137 |
| Exact Mass | 166.049 |
| XLogP3 | 0.064 |
| Mr | 39.263 |
| PSA | 83.28 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OC(=O)c1cnn2c1nc([nH]2)C |
