Base information
| Cat. No. | |
| CAS No. | 50940-49-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H12O6 |
| Molecular Weight | 216.188 |
| Exact Mass | 216.063 |
| XLogP3 | 0.1236 |
| Mr | 49.2448 |
| PSA | 89.9 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 26 |
| Ring number | 0 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | OC(=O)CCC(=O)OCCOC(=O)C=C |
