Base information
| Cat. No. | |
| CAS No. | 42772-85-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H12O4S |
| Molecular Weight | 216.254 |
| Exact Mass | 216.046 |
| XLogP3 | 1.7734 |
| Mr | 51.5558 |
| PSA | 71.98 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 26 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | OCCOS(=O)(=O)c1ccc(cc1)C |
