Base information
| Cat. No. | |
| CAS No. | 89331-97-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H23NO2 |
| Molecular Weight | 333.424 |
| Exact Mass | 333.173 |
| XLogP3 | 5.46128 |
| Mr | 99.0585 |
| PSA | 50.09 |
| Sequence | - |
| Atom number | 48 |
| Bond number | 50 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CC[C@@H]1CC[C@H](CC1)c1ccc(cc1)C(=O)Oc1ccc(cc1)C#N |
