Base information
| Cat. No. | |
| CAS No. | 145916-41-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H14O4S |
| Molecular Weight | 254.302 |
| Exact Mass | 254.061 |
| XLogP3 | 2.4309 |
| Mr | 64.062 |
| PSA | 60.98 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 31 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | C#CCOCCOS(=O)(=O)c1ccc(cc1)C |
