(3R)-3-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-Propenoyl]Oxy}-1,4,5-Trihydroxycyclohexanecarboxylic Acid

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Formula C16H18O9
IUPAC Name (1r,3s,4r,5s)-3-[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid
Molecular Mass 354.309 g·mol−1
Heat of Formation -1547.7 ± 16.7 kJ·mol−1
Dipole Moment 5.92 ± 1.08 D
Volume 385.62 Å 3
Surface Area 345.24 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
InChIKey CWVRJTMFETXNAD-DIKPXSMKSA-N
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Elements H C O