Base information
| Cat. No. | |
| CAS No. | 54594-85-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H18O4 |
| Molecular Weight | 238.28 |
| Exact Mass | 238.121 |
| XLogP3 | 1.5361 |
| Mr | 64.1898 |
| PSA | 63.6 |
| Sequence | - |
| Atom number | 35 |
| Bond number | 35 |
| Ring number | 1 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | COC(=O)CCC/C=C\CC1=CC(CC1=O)O |
