Base information
| Cat. No. | |
| CAS No. | 101973-77-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H16O4S |
| Molecular Weight | 280.339 |
| Exact Mass | 280.077 |
| XLogP3 | 2.5483 |
| Mr | 75.2003 |
| PSA | 96.74 |
| Sequence | - |
| Atom number | 35 |
| Bond number | 35 |
| Ring number | 1 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | CC(=O)SCC(C(=O)O)CC(=O)c1ccc(cc1)C |
