Base information
| Cat. No. | |
| CAS No. | 1227401-27-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C15H14O6S |
| Molecular Weight | 322.333 |
| Exact Mass | 322.051 |
| XLogP3 | 2.1746 |
| Mr | 81.0108 |
| PSA | 115.2 |
| Sequence | - |
| Atom number | 36 |
| Bond number | 37 |
| Ring number | 2 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(c2c1C(=O)C(=CC2=O)SCCC(=O)O)OC |
