Base information
| Cat. No. | |
| CAS No. | 79127-41-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8N2O3 |
| Molecular Weight | 180.161 |
| Exact Mass | 180.053 |
| XLogP3 | 2.484 |
| Mr | 49.8629 |
| PSA | 88.91 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC(=O)c1ccc(c(c1)N)[N+](=O)[O-] |
