Base information
| Cat. No. | |
| CAS No. | 628-41-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H8 |
| Molecular Weight | 80.1277 |
| Exact Mass | 80.0626 |
| XLogP3 | 1.8926 |
| Mr | 27.894 |
| PSA | 0 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 14 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | C1=CCC=CC1 |
