Base information
| Cat. No. | |
| CAS No. | 80407-68-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H17NO4 |
| Molecular Weight | 251.278 |
| Exact Mass | 251.116 |
| XLogP3 | 1.60868 |
| Mr | 65.539 |
| PSA | 60.71 |
| Sequence | - |
| Atom number | 35 |
| Bond number | 35 |
| Ring number | 1 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | COCCOc1cc(C#N)ccc1OCCOC |
