Base information
| Cat. No. | |
| CAS No. | 2095417-78-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H16N2O6 |
| Molecular Weight | 284.265 |
| Exact Mass | 284.101 |
| XLogP3 | -1.0284 |
| Mr | 68.0625 |
| PSA | 102.78 |
| Sequence | - |
| Atom number | 36 |
| Bond number | 37 |
| Ring number | 2 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | COCCO[C@@H]1[C@H](O)C(=C)O[C@H]1n1ccc(=O)[nH]c1=O |
