Base information
| Cat. No. | |
| CAS No. | 78338-67-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H11NO2 |
| Molecular Weight | 225.243 |
| Exact Mass | 225.079 |
| XLogP3 | 3.35918 |
| Mr | 64.165 |
| PSA | 42.25 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 29 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1ccccc1Oc1ccc(cc1)C#N |
