Base information
| Cat. No. | |
| CAS No. | 100516-90-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H4N4O3 |
| Molecular Weight | 180.121 |
| Exact Mass | 180.028 |
| XLogP3 | -1.7487 |
| Mr | 42.7211 |
| PSA | 111.47 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 18 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O=c1[nH]cc2-c([nH]1)nc(=O)c(=O)[nH]2 |
