Base information
| Cat. No. | |
| CAS No. | 120072-87-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H14O4 |
| Molecular Weight | 234.248 |
| Exact Mass | 234.089 |
| XLogP3 | 1.6133 |
| Mr | 61.6865 |
| PSA | 52.6 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 32 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COC(=O)C1CCc2c(C1=O)cc(cc2)OC |
