Base information
| Cat. No. | |
| CAS No. | 28549-12-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7NO |
| Molecular Weight | 133.147 |
| Exact Mass | 133.053 |
| XLogP3 | 1.24358 |
| Mr | 37.1258 |
| PSA | 44.02 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O[C@@H](c1ccccc1)C#N |
