Base information
| Cat. No. | |
| CAS No. | 31098-20-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H9KO5S |
| Molecular Weight | 232.296 |
| Exact Mass | 231.981 |
| XLogP3 | 0.7317 |
| Mr | 40.4514 |
| PSA | 91.88 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 20 |
| Ring number | 0 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | C=CC(=O)OCCCS(=O)(=O)[O-].[K+] |
