Base information
| Cat. No. | |
| CAS No. | 77005-28-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H14O6S |
| Molecular Weight | 310.322 |
| Exact Mass | 310.051 |
| XLogP3 | 1.5939 |
| Mr | 79.1091 |
| PSA | 122.27 |
| Sequence | - |
| Atom number | 35 |
| Bond number | 36 |
| Ring number | 2 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CSCC(COc1cccc2c1c(=O)cc(o2)C(=O)O)O |
