Base information
| Cat. No. | |
| CAS No. | 14548-31-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H8 |
| Molecular Weight | 80.1277 |
| Exact Mass | 80.0626 |
| XLogP3 | 1.5858 |
| Mr | 28.644 |
| PSA | 0 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 13 |
| Ring number | 0 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | C=CCCC#C |
