Base information
| Cat. No. | |
| CAS No. | 85422-91-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C23H22O15 |
| Molecular Weight | 538.412 |
| Exact Mass | 538.096 |
| XLogP3 | 0.2099 |
| Mr | 117.869 |
| PSA | 226.33 |
| Sequence | - |
| Atom number | 60 |
| Bond number | 61 |
| Ring number | 2 |
| Rotor number | 14 |
| Residues number | 0 |
| Canonical smiles | CC(=O)OCC1(C(=O)O)C(=C(C(=O)OC2=CCOC=C2)C(=CC1(OC(=O)C)C(=O)O)OC(=O)C)CC(=O)O |
