Base information
| Cat. No. | |
| CAS No. | 86520-95-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9N |
| Molecular Weight | 131.174 |
| Exact Mass | 131.073 |
| XLogP3 | 1.6797 |
| Mr | 42.104 |
| PSA | 12.89 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | C#Cc1cc(C)nc(c1)C |
