Base information
| Cat. No. | |
| CAS No. | 2861-02-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H11N2NaO10S2 |
| Molecular Weight | 454.364 |
| Exact Mass | 453.975 |
| XLogP3 | 2.9675 |
| Mr | 93.4334 |
| PSA | 252.14 |
| Sequence | - |
| Atom number | 40 |
| Bond number | 41 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Nc1cc(c(c2c1C(=O)c1c(C2=O)c(N)cc(c1O)S(=O)(=O)O)O)S(=O)(=O)O.[NaH] |
