2-Hydroxy-5-[5-Hydroxy-4-Oxo-7-(Sulfooxy)-4H-Chromen-2-Yl]Phenyl Hydrogen Sulfate

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Properties Simple | Detailed

Formula C15H11O12S2+
IUPAC Name 2-hydroxy-5-[5-hydroxy-4-oxo-7-(sulfooxy)-4h-chromen-2-yl]phenyl hydrogen sulfate
Molecular Mass 447.371 g·mol−1
Heat of Formation -1796.4 ± 16.7 kJ·mol−1
Dipole Moment 4.63 ± 1.08 D
Volume 417.7 Å 3
Surface Area 379.69 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
InChIKey WFETZDMFLGONLW-UHFFFAOYSA-O
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