Base information
| Cat. No. | |
| CAS No. | 350801-68-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H15NO2 |
| Molecular Weight | 181.232 |
| Exact Mass | 181.11 |
| XLogP3 | 2.04558 |
| Mr | 50.744 |
| PSA | 50.09 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 27 |
| Ring number | 0 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)CC(=CC(C)C)C#N |
