Base information
| Cat. No. | |
| CAS No. | 101691-65-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H18O5S |
| Molecular Weight | 286.344 |
| Exact Mass | 286.087 |
| XLogP3 | 2.363 |
| Mr | 70.2836 |
| PSA | 92.21 |
| Sequence | - |
| Atom number | 37 |
| Bond number | 38 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OCC1(CCOCC1)c1cc(C)ccc1S(=O)(=O)O |
