Base information
| Cat. No. | |
| CAS No. | 7498-57-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H9N |
| Molecular Weight | 167.207 |
| Exact Mass | 167.073 |
| XLogP3 | 2.90588 |
| Mr | 53.47 |
| PSA | 23.79 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 23 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#CCc1ccc2c(c1)cccc2 |
