Base information
| Cat. No. | |
| CAS No. | 16849-88-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H7N3 |
| Molecular Weight | 121.14 |
| Exact Mass | 121.064 |
| XLogP3 | 0.47906 |
| Mr | 32.876 |
| PSA | 50.82 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 15 |
| Ring number | 0 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CN(C=C(C#N)C#N)C |
