Base information
| Cat. No. | |
| CAS No. | 591-48-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H12 |
| Molecular Weight | 96.1702 |
| Exact Mass | 96.0939 |
| XLogP3 | 2.3626 |
| Mr | 33.175 |
| PSA | 0 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | CC1CCCC=C1 |
