Base information
| Cat. No. | |
| CAS No. | 23800-56-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H16O4 |
| Molecular Weight | 224.253 |
| Exact Mass | 224.105 |
| XLogP3 | 2.2727 |
| Mr | 61.3895 |
| PSA | 67.51 |
| Sequence | - |
| Atom number | 32 |
| Bond number | 32 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CC(CCC(=O)c1c(O)cc(oc1=O)C)C |
