chlorogenic acid
- CAS:
- Other names:
- SMILES: O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 354.31 | 9 | 6 | -0.65 | 164.75 | 5 | 88 | 0.38 | C16H18O9 |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| SF_C23 | None | Jan. 1, 2023 |
Bar codes
| Plate barcode | Sample barcode |
|---|---|
PAINS
| Identified PAINS |
|---|
| Not checked |
Supramolecules
| Name | log K | SD | pH | T(°C) | Method | Ref |
|---|---|---|---|---|---|---|
| [b-Cyclodextrin](1).[chlorogenic acid] | 2.67 | 1.41 | 7.0 | 25.0 | Fluorescence Spectroscopy and Ferric Reducing/Antioxidant Power Assay (FRAP) techniques | Emilio Alvarez-Parrilla 2005 |