Base information
| Cat. No. | |
| CAS No. | 340771-31-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8O2S |
| Molecular Weight | 180.224 |
| Exact Mass | 180.025 |
| XLogP3 | 2.1522 |
| Mr | 47.471 |
| PSA | 42.52 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | C#Cc1ccc(cc1)S(=O)(=O)C |
