(2E)-3-{(7R)-7-[(2,4-Dihydroxy-6-Methylbenzoyl)Oxy]-7-Methyl-6,8-Dioxo-7,8-Dihydro-6H-Isochromen-3-Yl}Acrylic Acid

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Properties Simple | Detailed

Formula C21H16O9
IUPAC Name (e)-3-[(7r)-7-(2,4-dihydroxy-6-methyl-benzoyl)oxy-7-methyl-6,8-dioxo-isochromen-3-yl]prop-2-enoic acid
Molecular Mass 412.346 g·mol−1
Heat of Formation -1240.5 ± 16.7 kJ·mol−1
Dipole Moment 3.41 ± 1.08 D
Volume 448.12 Å 3
Surface Area 388.14 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -1.80 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-[(7r)-7-(2,4-dihydroxy-6-methyl-benzoyl)oxy-6,8-diketo-7-methyl-isochromen-3-yl]acrylic acid
  • (e)-3-[(7r)-7-(2,4-dihydroxy-6-methyl-benzoyl)oxy-7-methyl-6,8-dioxo-isochromen-3-yl]prop-2-enoic acid
  • (e)-3-[(7r)-7-(2,4-dihydroxy-6-methyl-phenyl)carbonyloxy-7-methyl-6,8-dioxo-isochromen-3-yl]prop-2-enoic acid
  • (e)-3-[(7r)-7-(2,4-dihydroxy-6-methylbenzoyl)oxy-7-methyl-6,8-dioxoisochromen-3-yl]prop-2-enoic acid
  • (e)-3-[(7r)-7-[(2,4-dihydroxy-6-methylphenyl)-oxomethoxy]-7-methyl-6,8-dioxo-3-isochromenyl]prop-2-enoic acid
  • 3-[(7r)-7-(2,4-dihydroxy-6-methyl-benzoyl)oxy-6,8-diketo-7-methyl-isochromen-3-yl]acrylic acid
  • 3-[(7r)-7-(2,4-dihydroxy-6-methyl-benzoyl)oxy-7-methyl-6,8-dioxo-isochromen-3-yl]prop-2-enoic acid
  • 3-[(7r)-7-(2,4-dihydroxy-6-methyl-phenyl)carbonyloxy-7-methyl-6,8-dioxo-isochromen-3-yl]prop-2-enoic acid
  • 3-[(7r)-7-(2,4-dihydroxy-6-methylbenzoyl)oxy-7-methyl-6,8-dioxoisochromen-3-yl]prop-2-enoic acid
  • 3-[(7r)-7-[(2,4-dihydroxy-6-methylphenyl)-oxomethoxy]-7-methyl-6,8-dioxo-3-isochromenyl]prop-2-enoic acid
InChIKey ZJIWQCFXEQSFGR-YEFOHOTDSA-N
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