Base information
| Cat. No. | |
| CAS No. | 104-87-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8O |
| Molecular Weight | 120.149 |
| Exact Mass | 120.058 |
| XLogP3 | 1.8075 |
| Mr | 36.7955 |
| PSA | 17.07 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=Cc1ccc(cc1)C |
