Base information
| Cat. No. | |
| CAS No. | 84472-85-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H11N5O4 |
| Molecular Weight | 253.215 |
| Exact Mass | 253.081 |
| XLogP3 | -1.05194 |
| Mr | 56.7665 |
| PSA | 134.07 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 30 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@H](C[C@H]1N=[N+]=[N-])n1ccc(=O)[nH]c1=O |
