Base information
| Cat. No. | |
| CAS No. | 12227-69-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H15AlN4O9S2 |
| Molecular Weight | 498.423 |
| Exact Mass | 498.01 |
| XLogP3 | 3.1194 |
| Mr | 113.021 |
| PSA | 220.19 |
| Sequence | - |
| Atom number | 47 |
| Bond number | 48 |
| Ring number | 3 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | OC(=O)C1=NN(C(=O)C1/N=N/c1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O.[AlH3] |
