(2S)-5,9,10-Trihydroxy-2-(4-Hydroxyphenyl)-2,3-Dihydro-4H-[1]Benzofuro[2,3-H]Chromen-4-One

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Formula C21H14O7
IUPAC Name (2s)-5,9,10-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrobenzofuro[2,3-h]chromen-4-one
Molecular Mass 378.332 g·mol−1
Heat of Formation -861.0 ± 16.7 kJ·mol−1
Dipole Moment 3.77 ± 1.08 D
Volume 403.37 Å 3
Surface Area 353.49 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-5,9,10-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromeno[7,8-b][1]benzoxol-4-one
  • (2s)-5,9,10-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromeno[7,8-b]benzofuran-4-one
InChIKey ZXWMKYBQWBZFAK-INIZCTEOSA-N
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