1147861-80-0

Name D-Gluconic acid, 6-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]
CAS 1147861-80-0
Molecular Formula C15H18O10
Molecular Weight 358.3
MOL File 1147861-80-0.mol

Chemical Properties

Boiling point  801.9±65.0 °C(Predicted)
density  1.659±0.06 g/cm3(Predicted)
pka 3.32±0.35(Predicted)
InChI InChI=1S/C15H18O10/c16-8-3-1-7(5-9(8)17)2-4-11(19)25-6-10(18)12(20)13(21)14(22)15(23)24/h1-5,10,12-14,16-18,20-22H,6H2,(H,23,24)/b4-2+/t10-,12-,13+,14-/m1/s1
InChIKey IZTWJFXKOMYWBU-XAVAJTHBSA-N
SMILES C(O)(=O)[C@@H]([C@H]([C@@H]([C@@H](COC(=O)/C=C/C1=CC=C(O)C(O)=C1)O)O)O)O

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