Base information
| Cat. No. | |
| CAS No. | 100-42-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8 |
| Molecular Weight | 104.149 |
| Exact Mass | 104.063 |
| XLogP3 | 2.3296 |
| Mr | 36.533 |
| PSA | 0 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | C=Cc1ccccc1 |
