Base information
| Cat. No. | |
| CAS No. | 51995-99-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H16O3 |
| Molecular Weight | 232.275 |
| Exact Mass | 232.11 |
| XLogP3 | 3.0467 |
| Mr | 67.27 |
| PSA | 43.37 |
| Sequence | - |
| Atom number | 33 |
| Bond number | 33 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1C(=O)C=C(C)C)C(=O)C |
