Base information
| Cat. No. | |
| CAS No. | 14533-86-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H9NO2 |
| Molecular Weight | 187.195 |
| Exact Mass | 187.063 |
| XLogP3 | 1.76658 |
| Mr | 51.988 |
| PSA | 50.09 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COC(=O)/C(=C/c1ccccc1)/C#N |
