Base information
| Cat. No. | |
| CAS No. | 50390-76-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H10O5S |
| Molecular Weight | 230.238 |
| Exact Mass | 230.025 |
| XLogP3 | 1.8777 |
| Mr | 52.9873 |
| PSA | 89.05 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 25 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1C(=O)O)S(=O)(=O)C |
