Base information
| Cat. No. | |
| CAS No. | 205652-53-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H11NaO4 |
| Molecular Weight | 206.171 |
| Exact Mass | 206.056 |
| XLogP3 | -1.2655 |
| Mr | 44.4681 |
| PSA | 80.59 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CCC1=CC=C([C@H]([C@H]1O)O)C(=O)[O-].[Na+] |
