Base information
| Cat. No. | |
| CAS No. | 100884-80-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H16O8 |
| Molecular Weight | 312.272 |
| Exact Mass | 312.085 |
| XLogP3 | 0.6518 |
| Mr | 69.1172 |
| PSA | 149.2 |
| Sequence | - |
| Atom number | 38 |
| Bond number | 40 |
| Ring number | 3 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | OC(=O)C12CC3(CC(C2)(CC(C1)(C3)C(=O)O)C(=O)O)C(=O)O |
