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tefuryltrione Structure

tefuryltrione

Chemical Properties

Melting point approximate 118℃ (dec.)
Boiling point 685.7±55.0 °C(Predicted)
Density  1.362±0.06 g/cm3(Predicted)
vapor pressure  0-0Pa at 20-25℃
form  Solid:particulate/powder
pka 3.20±0.50(Predicted)
InChI InChI=1S/C20H23ClO7S/c1-29(25,26)17-8-7-13(20(24)18-15(22)5-2-6-16(18)23)19(21)14(17)11-27-10-12-4-3-9-28-12/h7-8,12,18H,2-6,9-11H2,1H3
InChIKey UFAPVJDEYHLLBG-UHFFFAOYSA-N
SMILES C1(=O)CCCC(=O)C1C(=O)C1=CC=C(S(C)(=O)=O)C(COCC2CCCO2)=C1Cl
LogP -3.9-1.9 at 25℃ and pH2-9
Surface tension 67.9mN/m at 194mg/L and 20℃
Dissociation constant 3.2 at 20℃

Usage And Synthesis

Preparation Products And Raw materials

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