4-Hydroxy-3-[1-(3-Hydroxyphenyl)-3-Oxobutyl]-2H-Chromen-2-One

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Properties Simple | Detailed

Formula C19H17O5+
IUPAC Name 4-hydroxy-3-[(1r)-1-(3-hydroxyphenyl)-3-oxo-butyl]chromen-2-one
Molecular Mass 325.335 g·mol−1
Heat of Formation -654.2 ± 16.7 kJ·mol−1
Dipole Moment 7.09 ± 1.08 D
Volume 369.89 Å 3
Surface Area 321.29 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
InChIKey DDKYQGKCKYAWAT-OAHLLOKOSA-N
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