Base information
| Cat. No. | |
| CAS No. | 129778-58-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H14N2O6 |
| Molecular Weight | 282.249 |
| Exact Mass | 282.085 |
| XLogP3 | -2.1944 |
| Mr | 66.7753 |
| PSA | 113.78 |
| Sequence | - |
| Atom number | 34 |
| Bond number | 35 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | C#CCO[C@@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)[nH]c1=O)CO |
