Base information
| Cat. No. | |
| CAS No. | 768-03-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8O |
| Molecular Weight | 132.159 |
| Exact Mass | 132.058 |
| XLogP3 | 2.0553 |
| Mr | 40.9695 |
| PSA | 17.07 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | C=CC(=O)c1ccccc1 |
