Base information
| Cat. No. | |
| CAS No. | 2166-14-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6N4O4 |
| Molecular Weight | 198.136 |
| Exact Mass | 198.039 |
| XLogP3 | -1.1602 |
| Mr | 40.181 |
| PSA | 104.16 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1nnc(nn1)C(=O)OC |
