Base information
| Cat. No. | |
| CAS No. | 28281-76-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6O4 |
| Molecular Weight | 178.142 |
| Exact Mass | 178.027 |
| XLogP3 | 1.0058 |
| Mr | 42.68 |
| PSA | 52.6 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1ccc2c(c1)C(=O)OC2=O |
