Base information
| Cat. No. | |
| CAS No. | 140631-27-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H18O4 |
| Molecular Weight | 226.269 |
| Exact Mass | 226.121 |
| XLogP3 | 1.3851 |
| Mr | 60.3436 |
| PSA | 74.6 |
| Sequence | - |
| Atom number | 34 |
| Bond number | 34 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | OCC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)O |
