4-O-Feruloylquinic acid

Chemical Properties

Melting point	195-196 °C(Solv: water (7732-18-5))
Boiling point	656.1±55.0 °C(Predicted)
Density	1.53±0.1 g/cm3(Predicted)
storage temp.	2-8°C
pka	4.07±0.50(Predicted)
form	Solid
color	White to off-white
Major Application	food and beverages pharmaceutical
InChI	InChI=1/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/t11-,12-,15-,17+/s3
InChIKey	VTMFDSJJVNQXLT-YYJRJVKZNA-N
SMILES	O([C@@H]1[C@@H](C[C@@](O)(C(=O)O)C[C@H]1O)O)C(=O)C=CC1C=CC(O)=C(OC)C=1 \|&1:1,2,4,10,r\|

WGK Germany	WGK 3
Storage Class	11 - Combustible Solids

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