Base information
| Cat. No. | |
| CAS No. | 179817-95-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H16N2O6 |
| Molecular Weight | 296.276 |
| Exact Mass | 296.101 |
| XLogP3 | -1.8264 |
| Mr | 71.7413 |
| PSA | 113.78 |
| Sequence | - |
| Atom number | 37 |
| Bond number | 38 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CO[C@@H]1[C@H](O)[C@H](O[C@H]1n1cc(C#CC)c(=O)[nH]c1=O)CO |
