Base information
| Cat. No. | |
| CAS No. | 643-79-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6O2 |
| Molecular Weight | 134.132 |
| Exact Mass | 134.037 |
| XLogP3 | 1.3116 |
| Mr | 37.217 |
| PSA | 34.14 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | O=Cc1ccccc1C=O |
