Base information
| Cat. No. | |
| CAS No. | 30313-06-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H14O4S |
| Molecular Weight | 254.302 |
| Exact Mass | 254.061 |
| XLogP3 | 2.2577 |
| Mr | 65.822 |
| PSA | 80.84 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 31 |
| Ring number | 1 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)C(=Cc1cccs1)C(=O)OCC |