Base information
| Cat. No. | |
| CAS No. | 5417-17-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9ClO3 |
| Molecular Weight | 200.619 |
| Exact Mass | 200.024 |
| XLogP3 | 2.1697 |
| Mr | 49.8235 |
| PSA | 35.53 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1c(OC)ccc(c1Cl)C=O |
