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38963-94-9

Name 4-[4-(beta-D-Glucopyranosyloxy)phenyl]-2-butanone
CAS 38963-94-9
EINECS(EC#) 1806241-263-5
Molecular Formula C16H22O7
MDL Number MFCD09838679
Molecular Weight 326.34
MOL File 38963-94-9.mol
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Chemical Properties

Melting point  113-115°C
Boiling point  553.8±50.0 °C(Predicted)
density  1.362
storage temp.  Hygroscopic, Refrigerator, under inert atmosphere
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 12.83±0.70(Predicted)
color  White to Off-White
Water Solubility  13 g/L at 25 ºC
Stability: Hygroscopic
InChI InChI=1/C16H22O7/c1-9(18)2-3-10-4-6-11(7-5-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h4-7,12-17,19-21H,2-3,8H2,1H3/t12-,13-,14+,15-,16-/s3
InChIKey IDONYWHRKBUDOR-JPNBUEAJNA-N
SMILES [C@@H]1(OC2C=CC(=CC=2)CCC(C)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |&1:0,14,17,19,21,r|
LogP -1.031 (est)

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