Base information
| Cat. No. | |
| CAS No. | 227619-64-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H8N2O4 |
| Molecular Weight | 172.139 |
| Exact Mass | 172.048 |
| XLogP3 | -1.2534 |
| Mr | 43.2182 |
| PSA | 87.66 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OC(=O)[C@H]1NC[C@H]2[C@@H]1C(=O)NO2 |
