Base information
| Cat. No. | |
| CAS No. | 137109-78-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H14O4S |
| Molecular Weight | 266.313 |
| Exact Mass | 266.061 |
| XLogP3 | 2.7323 |
| Mr | 69.255 |
| PSA | 76.66 |
| Sequence | - |
| Atom number | 32 |
| Bond number | 32 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CC(=O)C(=Cc1ccc(cc1)S(=O)(=O)C)C(=O)C |
