Base information
| Cat. No. | |
| CAS No. | 85431-07-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.28 |
| Exact Mass | 222.126 |
| XLogP3 | 2.1783 |
| Mr | 63.0773 |
| PSA | 46.53 |
| Sequence | - |
| Atom number | 34 |
| Bond number | 34 |
| Ring number | 1 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | OCCCCc1ccc(cc1)C(=O)OCC |
