Base information
| Cat. No. | |
| CAS No. | 127680-78-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H11N3 |
| Molecular Weight | 161.204 |
| Exact Mass | 161.095 |
| XLogP3 | 1.84658 |
| Mr | 47.8717 |
| PSA | 48.71 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC(Nc1nccc(c1)C#N)C |
