Base information
| Cat. No. | |
| CAS No. | 111-78-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H12 |
| Molecular Weight | 108.181 |
| Exact Mass | 108.094 |
| XLogP3 | 2.6728 |
| Mr | 37.508 |
| PSA | 0 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | C1CC=CCCC=C1 |
