Base information
| Cat. No. | |
| CAS No. | 53611-01-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H10O5 |
| Molecular Weight | 198.173 |
| Exact Mass | 198.053 |
| XLogP3 | 0.1869 |
| Mr | 44.4058 |
| PSA | 80.67 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 25 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=C1OC(=O)C2C1CC(CC2)C(=O)O |
