Base information
| Cat. No. | |
| CAS No. | 222983-64-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H16O3 |
| Molecular Weight | 232.275 |
| Exact Mass | 232.11 |
| XLogP3 | 1.9873 |
| Mr | 66.0463 |
| PSA | 46.53 |
| Sequence | - |
| Atom number | 33 |
| Bond number | 33 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | OCCCCC#Cc1ccc(cc1)C(=O)OC |