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Herbacetin Structure

Herbacetin

Chemical Properties

Melting point 284℃
Boiling point 618.7±55.0 °C(Predicted)
Density  1.799
storage temp.  -20°C
solubility  DMF:30.0(Max Conc. mg/mL);99.26(Max Conc. mM)
DMSO:30.0(Max Conc. mg/mL);99.26(Max Conc. mM)
DMSO:PBS(pH 7.2) (1:4):1.0(Max Conc. mg/mL);3.31(Max Conc. mM)
Ethanol:2.0(Max Conc. mg/mL);6.62(Max Conc. mM)
form  A crystalline solid
pka 6.49±0.40(Predicted)
color  Light yellow to yellow
Major Application metabolomics
vitamins, nutraceuticals, and natural products
InChI InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)14-13(21)12(20)10-8(17)5-9(18)11(19)15(10)22-14/h1-5,16-19,21H
InChIKey ZDOTZEDNGNPOEW-UHFFFAOYSA-N
SMILES C1(C2=CC=C(O)C=C2)OC2=C(O)C(O)=CC(O)=C2C(=O)C=1O
LogP 1.140 (est)

Safety Information

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Usage And Synthesis

Preparation Products And Raw materials

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