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columbianetin Structure

columbianetin

Chemical Properties

Boiling point 443.0±45.0 °C(Predicted)
Density  1.334±0.06 g/cm3(Predicted)
pka 14.34±0.29(Predicted)
InChI InChI=1S/C14H14O4/c1-14(2,16)11-7-9-10(17-11)5-3-8-4-6-12(15)18-13(8)9/h3-6,11,16H,7H2,1-2H3
InChIKey YRAQEMCYCSSHJG-UHFFFAOYSA-N
SMILES C1(=O)OC2C3CC(C(O)(C)C)OC=3C=CC=2C=C1

Usage And Synthesis

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