Base information
| Cat. No. | |
| CAS No. | 16718-42-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.237 |
| Exact Mass | 222.089 |
| XLogP3 | 1.8413 |
| Mr | 58.9645 |
| PSA | 44.76 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 31 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1cc2C(=O)CCc2c(c1OC)OC |
