Base information
| Cat. No. | |
| CAS No. | 27462-91-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H14O3 |
| Molecular Weight | 218.248 |
| Exact Mass | 218.094 |
| XLogP3 | 2.1009 |
| Mr | 60.221 |
| PSA | 43.37 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 31 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1cccc(c1)C1CC(=O)CC(=O)C1 |
