Base information
| Cat. No. | |
| CAS No. | 1017781-39-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H13NaO5S |
| Molecular Weight | 280.273 |
| Exact Mass | 280.038 |
| XLogP3 | 1.4985 |
| Mr | 60.2502 |
| PSA | 95.04 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 31 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1ccc2c(c1)CCC(C2)(O)S(=O)(=O)[O-].[Na+] |
