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
			JN_46	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
[Soluble b-Cyclodextrin polymer](1).[chlorogenic acid]	2.37	1.89	6.7	7.0	HPLC, NMR, UV spectroscopy	Peter L. Irwin 1996
[Soluble b-Cyclodextrin polymer](1).[chlorogenic acid]	2.34	1.64	6.7	14.0	HPLC, NMR, UV spectroscopy	Peter L. Irwin 1996
[Soluble b-Cyclodextrin polymer](1).[chlorogenic acid]	2.23	1.49	6.7	21.0	HPLC, NMR, UV spectroscopy	Peter L. Irwin 1996
[Soluble b-Cyclodextrin polymer](1).[chlorogenic acid]	2.13	1.43	6.7	28.0	HPLC, NMR, UV spectroscopy	Peter L. Irwin 1996
[Soluble b-Cyclodextrin polymer](1).[chlorogenic acid]	1.98	1.45	6.7	35.0	HPLC, NMR, UV spectroscopy	Peter L. Irwin 1996
[Soluble b-Cyclodextrin polymer](1).[chlorogenic acid]	1.81	1.46	6.7	42.0	HPLC, NMR, UV spectroscopy	Peter L. Irwin 1996
[Soluble b-Cyclodextrin polymer](1).[chlorogenic acid]	2.50	1.87	6.7	49.0	HPLC, NMR, UV spectroscopy	Peter L. Irwin 1996
[Soluble b-Cyclodextrin polymer](1).[chlorogenic acid]	2.40	1.76	6.7	56.0	HPLC, NMR, UV spectroscopy	Peter L. Irwin 1996

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