Base information
| Cat. No. | |
| CAS No. | 531-59-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H8O3 |
| Molecular Weight | 176.169 |
| Exact Mass | 176.047 |
| XLogP3 | 1.8016 |
| Mr | 48.976 |
| PSA | 39.44 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1ccc2c(c1)oc(=O)cc2 |
