Scopolin

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Properties Simple | Detailed

Formula C16H19O9+
IUPAC Name 6-methoxy-7-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one
Molecular Mass 355.317 g·mol−1
Heat of Formation -1382.2 ± 16.7 kJ·mol−1
Dipole Moment 7.86 ± 1.08 D
Volume 385.13 Å 3
Surface Area 341.01 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
InChIKey SGTCGCCQZOUMJJ-DZQJYWQESA-N
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Elements H C O