Base information
| Cat. No. | |
| CAS No. | 4066-41-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H6O3S |
| Molecular Weight | 170.186 |
| Exact Mass | 170.004 |
| XLogP3 | 1.6489 |
| Mr | 41.4728 |
| PSA | 82.61 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC(=O)c1ccc(s1)C(=O)O |
