Base information
| Cat. No. | |
| CAS No. | 105-07-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H5NO |
| Molecular Weight | 131.131 |
| Exact Mass | 131.037 |
| XLogP3 | 1.37078 |
| Mr | 36.5445 |
| PSA | 40.86 |
| Sequence | - |
| Atom number | 15 |
| Bond number | 15 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=Cc1ccc(cc1)C#N |
