Base information
| Cat. No. | |
| CAS No. | 221682-41-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H18O3 |
| Molecular Weight | 210.27 |
| Exact Mass | 210.126 |
| XLogP3 | 2.4127 |
| Mr | 59.1818 |
| PSA | 54.37 |
| Sequence | - |
| Atom number | 33 |
| Bond number | 33 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CC/C=C\CC1C(CCC1=O)CC(=O)O |
