117405-51-3

Name 4-hydroxy-3-methoxycinnamic acid 4-O-β-D-glucopyranoside
CAS 117405-51-3
Molecular Formula C16H20O9
Molecular Weight 356.32
MOL File 117405-51-3.mol
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Chemical Properties

Boiling point  642.0±55.0 °C(Predicted)
density  1.509±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
form  Solid
pka 4.47±0.10(Predicted)
color  White to off-white
InChI InChI=1/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/s3
InChIKey IEMIRSXOYFWPFD-KJZSCJORNA-N
SMILES C(O)(=O)/C=C/C1C=CC(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C(OC)C=1 |&1:10,11,13,15,17,r|

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