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1-Caffeoylquinic acid Structure

1-Caffeoylquinic acid

Chemical Properties

Boiling point 636.2±55.0 °C(Predicted)
Density  1.65
storage temp.  4°C, protect from light
solubility  Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form  powder
pka 2.94±0.50(Predicted)
color  White
Major Application food and beverages
pharmaceutical
InChI 1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+/t11-,12-,14-,16+/m1/s1
InChIKey GWTUHAXUUFROTF-JUHZACGLSA-N
SMILES O=C(/C=C/C1=CC=C(O)C(O)=C1)O[C@@]2(C(O)=O)C[C@@H](O)[C@@H](O)[C@H](O)C2
LogP -0.587 (est)

Safety Information

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Usage And Synthesis

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