Base information
| Cat. No. | |
| CAS No. | 216581-76-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.28 |
| Exact Mass | 222.126 |
| XLogP3 | 1.7993 |
| Mr | 60.3118 |
| PSA | 46.53 |
| Sequence | - |
| Atom number | 34 |
| Bond number | 36 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | C=CC(=O)OC12CC3CC(C1)CC(C2)(C3)O |
