Base information
| Cat. No. | |
| CAS No. | 3736-77-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H10N2O5 |
| Molecular Weight | 226.186 |
| Exact Mass | 226.059 |
| XLogP3 | -1.7451 |
| Mr | 49.8526 |
| PSA | 93.81 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 28 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@@H]2[C@H]([C@@H]1O)Oc1n2ccc(=O)n1 |
