1-[3-(3,6-Dihydroxy-2-Methylbenzoyl)-2,4-Dihydroxyphenyl]Ethanone

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Properties Simple | Detailed

Formula C16H14O6
IUPAC Name 1-[3-(3,6-dihydroxy-2-methyl-benzoyl)-2,4-dihydroxy-phenyl]ethanone
Molecular Mass 302.279 g·mol−1
Heat of Formation -962.6 ± 16.7 kJ·mol−1
Dipole Moment 3.39 ± 1.08 D
Volume 331.22 Å 3
Surface Area 290.19 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[3-(3,6-dihydroxy-2-methyl-phenyl)carbonyl-2,4-dihydroxy-phenyl]ethanone
  • 1-[3-[(3,6-dihydroxy-2-methylphenyl)-oxomethyl]-2,4-dihydroxyphenyl]ethanone
  • baishouwubenzophenone
  • ethanone, 1-(3-(3,6-dihydroxy-2-methylbenzoyl)-2,4-dihydroxyphenyl)-
CAS Number(s)
  • 115834-34-9
InChIKey VWHLSTXEUJVCHE-UHFFFAOYSA-N
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