Base information
| Cat. No. | |
| CAS No. | 84558-94-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H14N2O5 |
| Molecular Weight | 266.25 |
| Exact Mass | 266.09 |
| XLogP3 | -1.4513 |
| Mr | 65.8493 |
| PSA | 104.55 |
| Sequence | - |
| Atom number | 33 |
| Bond number | 34 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C#CC)c(=O)[nH]c1=O |
