Base information
| Cat. No. | |
| CAS No. | 172900-75-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H16O4 |
| Molecular Weight | 224.253 |
| Exact Mass | 224.105 |
| XLogP3 | 1.923 |
| Mr | 60.3195 |
| PSA | 44.76 |
| Sequence | - |
| Atom number | 32 |
| Bond number | 32 |
| Ring number | 1 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1OCCCOC)C=O |
