Base information
| Cat. No. | |
| CAS No. | 31698-14-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H11N3O4 |
| Molecular Weight | 225.201 |
| Exact Mass | 225.075 |
| XLogP3 | -1.5261 |
| Mr | 50.1083 |
| PSA | 100.59 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 29 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@@H]2[C@H]([C@@H]1O)Oc1n2ccc(=N)n1 |
