Base information
| Cat. No. | |
| CAS No. | 1516-01-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H7N |
| Molecular Weight | 93.1265 |
| Exact Mass | 93.0578 |
| XLogP3 | 1.64228 |
| Mr | 29.757 |
| PSA | 23.79 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 13 |
| Ring number | 0 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CC=CC=CC#N |
