Base information
| Cat. No. | |
| CAS No. | 685879-38-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8N2O6 |
| Molecular Weight | 228.159 |
| Exact Mass | 228.038 |
| XLogP3 | 1.2284 |
| Mr | 53.0023 |
| PSA | 114.47 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COc1nc(OC)c(cc1[N+](=O)[O-])C(=O)O |
