Base information
| Cat. No. | |
| CAS No. | 89-01-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H4N2O4 |
| Molecular Weight | 168.107 |
| Exact Mass | 168.017 |
| XLogP3 | -0.127 |
| Mr | 35.9506 |
| PSA | 100.38 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OC(=O)c1nccnc1C(=O)O |
