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yakuchinone-A Structure

yakuchinone-A

Chemical Properties

Boiling point 212-214 °C(Press: 2 Torr)
Density  1.095±0.06 g/cm3(Predicted)
solubility  DMSO:0.0(Max Conc. mg/mL);0.0(Max Conc. mM)
pka 10.02±0.20(Predicted)
form  Liquid
color  Colorless to off-white
InChI InChI=1S/C20H24O3/c1-23-20-15-17(12-14-19(20)22)11-13-18(21)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,12,14-15,22H,5-6,9-11,13H2,1H3
InChIKey TXELARZTKDBEKS-UHFFFAOYSA-N
SMILES C(C1=CC=C(O)C(OC)=C1)CC(=O)CCCCC1=CC=CC=C1
LogP 3.720 (est)

Usage And Synthesis

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