Base information
| Cat. No. | |
| CAS No. | 431888-57-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7ClO4 |
| Molecular Weight | 214.602 |
| Exact Mass | 214.003 |
| XLogP3 | 1.8248 |
| Mr | 49.6908 |
| PSA | 63.6 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1ccc(c(c1)Cl)C(=O)O |
