Base information
| Cat. No. | |
| CAS No. | 6471-78-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H11NO4S |
| Molecular Weight | 217.242 |
| Exact Mass | 217.041 |
| XLogP3 | 2.4945 |
| Mr | 52.1632 |
| PSA | 98 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 25 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1cc(c(cc1N)C)S(=O)(=O)O |
