Base information
| Cat. No. | |
| CAS No. | 29682-14-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H6N2O4 |
| Molecular Weight | 182.134 |
| Exact Mass | 182.033 |
| XLogP3 | 1.2996 |
| Mr | 44.3385 |
| PSA | 85.01 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1ccc(cn1)[N+](=O)[O-] |
