Base information
| Cat. No. | |
| CAS No. | 33422-23-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H21NO2 |
| Molecular Weight | 223.311 |
| Exact Mass | 223.157 |
| XLogP3 | 3.07178 |
| Mr | 64.905 |
| PSA | 50.09 |
| Sequence | - |
| Atom number | 37 |
| Bond number | 36 |
| Ring number | 0 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | CCCC(C(C(=O)OCC)(CC=C)C#N)C |
