Base information
| Cat. No. | |
| CAS No. | 68876-96-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H11ClO3 |
| Molecular Weight | 178.613 |
| Exact Mass | 178.04 |
| XLogP3 | -0.4016 |
| Mr | 42.1296 |
| PSA | 52.99 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | ClCC1CO1.OCC#CCO |
