Base information
| Cat. No. | |
| CAS No. | 53581-81-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.254 |
| Exact Mass | 208.11 |
| XLogP3 | 2.4688 |
| Mr | 59.3935 |
| PSA | 35.53 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 31 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CCCc1cc(OC)c(cc1OC)C=O |
