Base information
| Cat. No. | |
| CAS No. | 718-71-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H15NO2 |
| Molecular Weight | 217.264 |
| Exact Mass | 217.11 |
| XLogP3 | 2.42108 |
| Mr | 61.167 |
| PSA | 50.09 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 31 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CCC(c1ccccc1)(C(=O)OCC)C#N |
