Base information
| Cat. No. | |
| CAS No. | 180300-52-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H14N2O6 |
| Molecular Weight | 282.249 |
| Exact Mass | 282.085 |
| XLogP3 | -2.5401 |
| Mr | 67.0491 |
| PSA | 124.78 |
| Sequence | - |
| Atom number | 34 |
| Bond number | 35 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Cc1cn([C@@H]2O[C@@H]([C@]([C@H]2O)(O)C#C)CO)c(=O)[nH]c1=O |
