Base information
| Cat. No. | |
| CAS No. | 53101-04-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H10N2O4S |
| Molecular Weight | 278.284 |
| Exact Mass | 278.036 |
| XLogP3 | 3.4182 |
| Mr | 72.4585 |
| PSA | 113.25 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 30 |
| Ring number | 2 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)c1scc(n1)c1ccc(cc1)[N+](=O)[O-] |
