Base information
| Cat. No. | |
| CAS No. | 78756-28-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H3NO3S |
| Molecular Weight | 169.158 |
| Exact Mass | 168.983 |
| XLogP3 | 0.5428 |
| Mr | 40.9817 |
| PSA | 91.31 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 15 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O=c1oc(=O)c2c([nH]1)ccs2 |
