Base information
| Cat. No. | |
| CAS No. | 672-89-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H8O3 |
| Molecular Weight | 140.137 |
| Exact Mass | 140.047 |
| XLogP3 | 0.9568 |
| Mr | 36.436 |
| PSA | 39.44 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1cc(C)oc(=O)c1 |
