Base information
| Cat. No. | |
| CAS No. | 52589-39-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H16O6 |
| Molecular Weight | 268.263 |
| Exact Mass | 268.095 |
| XLogP3 | 1.0986 |
| Mr | 66.19 |
| PSA | 71.06 |
| Sequence | - |
| Atom number | 35 |
| Bond number | 35 |
| Ring number | 1 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | COC(=O)COc1cc(C)ccc1OCC(=O)OC |
