Base information
| Cat. No. | |
| CAS No. | 54247-05-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6D4N2O4 |
| Molecular Weight | 172.132 |
| Exact Mass | 172.042 |
| XLogP3 | 2.5494 |
| Mr | 44.086 |
| PSA | 91.64 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | [2H]c1c([N+](=O)[O-])c([2H])c(c(c1[N+](=O)[O-])[2H])[2H] |
