5509-70-6

Name 4-O-Cinnamoylquinic acid
CAS 5509-70-6
Molecular Formula C16H18O7
Molecular Weight 322.31
MOL File 5509-70-6.mol
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Chemical Properties

Boiling point  594.1±50.0 °C(Predicted)
density  1.45±0.1 g/cm3(Predicted)
pka 4.07±0.50(Predicted)
InChI InChI=1S/C16H18O7/c17-11-8-16(22,15(20)21)9-12(18)14(11)23-13(19)7-6-10-4-2-1-3-5-10/h1-7,11-12,14,17-18,22H,8-9H2,(H,20,21)
InChIKey CLDAKARZYFIUGC-UHFFFAOYSA-N
SMILES C(C1(CC(O)C(OC(=O)C=CC2C=CC=CC=2)C(O)C1)O)(=O)O

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