Base information
| Cat. No. | |
| CAS No. | 6938-45-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H18O2 |
| Molecular Weight | 206.281 |
| Exact Mass | 206.131 |
| XLogP3 | 3.3101 |
| Mr | 61.535 |
| PSA | 26.3 |
| Sequence | - |
| Atom number | 33 |
| Bond number | 33 |
| Ring number | 1 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | CCCCCC(=O)OCc1ccccc1 |
