Base information
| Cat. No. | |
| CAS No. | 628-87-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C4H5N3 |
| Molecular Weight | 95.1026 |
| Exact Mass | 95.0483 |
| XLogP3 | 0.01406 |
| Mr | 23.6417 |
| PSA | 59.61 |
| Sequence | - |
| Atom number | 12 |
| Bond number | 11 |
| Ring number | 0 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | N#CCNCC#N |
