(1S,3R,4R,5R)-1,3,4-Trihydroxy-5-{[(2E)-3-(4-Hydroxyphenyl)-2-Propenoyl]Oxy}Cyclohexanecarboxylate

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Formula C16H18O8
IUPAC Name (1r,3s,4r,5s)-1,3,4-trihydroxy-5-[(e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-cyclohexanecarboxylic acid
Molecular Mass 338.309 g·mol−1
Heat of Formation -1331.6 ± 16.7 kJ·mol−1
Dipole Moment 4.73 ± 1.08 D
Volume 378.84 Å 3
Surface Area 341.34 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
InChIKey BMRSEYFENKXDIS-KZLJFIPKSA-N
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