Base information
| Cat. No. | |
| CAS No. | 1193-79-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H8O2 |
| Molecular Weight | 124.137 |
| Exact Mass | 124.052 |
| XLogP3 | 1.7906 |
| Mr | 33.8685 |
| PSA | 30.21 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Cc1ccc(o1)C(=O)C |
