Base information
| Cat. No. | |
| CAS No. | 3690-10-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H12N2O5 |
| Molecular Weight | 228.202 |
| Exact Mass | 228.075 |
| XLogP3 | -2.1452 |
| Mr | 51.4434 |
| PSA | 104.81 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 29 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cccnc1=O |
