Base information
| Cat. No. | |
| CAS No. | 1190314-11-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7N3O4 |
| Molecular Weight | 221.17 |
| Exact Mass | 221.044 |
| XLogP3 | 1.7809 |
| Mr | 56.1952 |
| PSA | 100.8 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 24 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1ccnc2c1c(c[nH]2)[N+](=O)[O-] |
