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TUG 891 Structure

TUG 891

Chemical Properties

Boiling point 540.8±50.0 °C(Predicted)
Density  1.199±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO:30.0(Max Conc. mg/mL);82.32(Max Conc. mM)
DMF:5.0(Max Conc. mg/mL);13.72(Max Conc. mM)
Ethanol:1.0(Max Conc. mg/mL);2.74(Max Conc. mM)
form  Powder
pka 4.70±0.10(Predicted)
color  White to off-white
InChI 1S/C23H21FO3/c1-16-2-7-18(8-3-16)22-12-9-20(24)14-19(22)15-27-21-10-4-17(5-11-21)6-13-23(25)26/h2-5,7-12,14H,6,13,15H2,1H3,(H,25,26)
InChIKey LPGBXHWIQNZEJB-UHFFFAOYSA-N
SMILES Fc1cc(c(cc1)c3ccc(cc3)C)COc2ccc(cc2)CCC(=O)O

Safety Information

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Usage And Synthesis

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