Base information
| Cat. No. | |
| CAS No. | 7800-91-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H5NaO7S |
| Molecular Weight | 268.176 |
| Exact Mass | 267.965 |
| XLogP3 | 0.0758 |
| Mr | 48.2771 |
| PSA | 140.18 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | [O-]C(=O)c1cc(cc(c1)S(=O)(=O)O)C(=O)O.[Na+] |
