Base information
| Cat. No. | |
| CAS No. | 159325-85-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H9N3O4 |
| Molecular Weight | 247.207 |
| Exact Mass | 247.059 |
| XLogP3 | 1.9593 |
| Mr | 63.3702 |
| PSA | 93.72 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 29 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CC(=O)c1c(C)n(c2c1c1no[n+](c1cc2)[O-])O |
