Base information
| Cat. No. | |
| CAS No. | 111-94-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H9N3 |
| Molecular Weight | 123.156 |
| Exact Mass | 123.08 |
| XLogP3 | 0.79426 |
| Mr | 33.2557 |
| PSA | 59.61 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 17 |
| Ring number | 0 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | N#CCCNCCC#N |
