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3-Oxo-5beta-cholanoic Acid Structure

3-Oxo-5beta-cholanoic Acid

Chemical Properties

Melting point 140-141 °C
Boiling point 509.3±23.0 °C(Predicted)
Density  1.069±0.06 g/cm3(Predicted)
storage temp.  Refrigerator
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
pka 4.76±0.10(Predicted)
color  White to Pale Yellow
InChIKey KIQFUORWRVZTHT-OPTMKGCMSA-N
SMILES [H][C@@]12[C@]([C@](CCC(C3)=O)(C)[C@]3([H])CC2)([H])CC[C@@]4(C)[C@@]1([H])CC[C@]4([H])[C@]([H])(C)CCC(O)=O
CAS DataBase Reference 1553-56-6

Safety Information

WGK Germany  3
RTECS  FZ2281400
HS Code  2918.30.9000
Storage Class 11 - Combustible Solids

MSDS

Usage And Synthesis

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