Base information
| Cat. No. | |
| CAS No. | 27918-36-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H12O4S |
| Molecular Weight | 228.265 |
| Exact Mass | 228.046 |
| XLogP3 | 2.0033 |
| Mr | 56.8995 |
| PSA | 68.82 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 27 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)C(=O)CS(=O)(=O)C |
