Base information
| Cat. No. | |
| CAS No. | 39588-85-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8NNaO3 |
| Molecular Weight | 189.144 |
| Exact Mass | 189.04 |
| XLogP3 | -0.3667 |
| Mr | 41.6107 |
| PSA | 86.38 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | [O-]C(=O)C(c1ccccc1N)O.[Na+] |
