Base information
| Cat. No. | |
| CAS No. | 694-87-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8 |
| Molecular Weight | 104.149 |
| Exact Mass | 104.063 |
| XLogP3 | 1.7852 |
| Mr | 34.26 |
| PSA | 0 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 17 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | c1ccc2c(c1)CC2 |
