Base information
| Cat. No. | |
| CAS No. | 849762-24-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.237 |
| Exact Mass | 222.089 |
| XLogP3 | 1.2101 |
| Mr | 58.421 |
| PSA | 60.44 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 30 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CC(CC(=O)OCC1=CC(=O)C=CC1=O)C |
