Base information
| Cat. No. | |
| CAS No. | 1379208-77-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6N2O4 |
| Molecular Weight | 194.144 |
| Exact Mass | 194.033 |
| XLogP3 | 1.70388 |
| Mr | 48.494 |
| PSA | 99.07 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1cc([N+](=O)[O-])c(cc1O)C#N |
