Base information
| Cat. No. | |
| CAS No. | 79822-46-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.254 |
| Exact Mass | 208.11 |
| XLogP3 | 2.6909 |
| Mr | 59.1633 |
| PSA | 46.53 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 31 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1cc(ccc1C(C)(C)C)C(=O)O |
