Chlorogenic Acid

Catalog	BBC327979
CAS	327-97-9
Structure
Description	Chlorogenic acid is a major phenolic compound in Lonicera japonica Thunb.. It plays several important and therapeutic roles such as antioxidant activity, antibacterial, hepatoprotective, cardioprotective, anti-inflammatory, antipyretic, neuroprotective, anti-obesity, antiviral, anti-microbial, anti-hypertension.
Synonyms	Heriguard
IUPAC Name	(1S,3R,4R,5R)-3-[(E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
Molecular Weight	354.31
Molecular Formula	C16H18O9
Canonical SMILES	C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
InChI	InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1
InChI Key	CWVRJTMFETXNAD-JUHZACGLSA-N
Boiling Point	407.55 °C
Melting Point	210 °C(lit.)
Flash Point	245.5 °C
Purity	98%
Density	1.3594 g/cm³
Solubility	Soluble in ethanol, acetone
Appearance	Solid
Storage	2-8 °C
Active Content	95%
pKa	3.91±0.50(Predicted)
Refractive Index	-37 ° (C=1, H₂O)