Base information
| Cat. No. | |
| CAS No. | 6655-27-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H11N3O4S |
| Molecular Weight | 257.266 |
| Exact Mass | 257.047 |
| XLogP3 | 3.2638 |
| Mr | 64.4587 |
| PSA | 112.73 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 28 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CC(=NNS(=O)(=O)c1ccccc1[N+](=O)[O-])C |
