Base information
| Cat. No. | |
| CAS No. | 72718-33-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H17N3O5 |
| Molecular Weight | 295.291 |
| Exact Mass | 295.117 |
| XLogP3 | -1.12722 |
| Mr | 72.3376 |
| PSA | 117.48 |
| Sequence | - |
| Atom number | 38 |
| Bond number | 39 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)n(c1=O)CCC#N |
