Base information
| Cat. No. | |
| CAS No. | 67483-58-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H11NO2 |
| Molecular Weight | 249.264 |
| Exact Mass | 249.079 |
| XLogP3 | 3.31668 |
| Mr | 72.425 |
| PSA | 50.09 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 31 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | C=CC(=O)Oc1ccc(cc1)c1ccc(cc1)C#N |
