Base information
| Cat. No. | |
| CAS No. | 21861-32-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8O3 |
| Molecular Weight | 164.158 |
| Exact Mass | 164.047 |
| XLogP3 | 1.2757 |
| Mr | 43.1965 |
| PSA | 46.53 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Oc1cc(C)c2c(c1)OCC2=O |
