Methyl 2-[(6,8-Dihydroxy-3-Methyl-1-Oxo-1H-Isochromen-7-Yl)Carbonyl]-3-Hydroxy-5-Methoxybenzoate

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Properties Simple | Detailed

Formula C20H17O9+
IUPAC Name methyl 2-(6,8-dihydroxy-3-methyl-1-oxo-isochromene-7-carbonyl)-3-hydroxy-5-methoxy-benzoate
Molecular Mass 401.344 g·mol−1
Heat of Formation -1377.1 ± 16.7 kJ·mol−1
Dipole Moment 7.89 ± 1.08 D
Volume 420.59 Å 3
Surface Area 357.74 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(6,8-dihydroxy-1-keto-3-methyl-isochromene-7-carbonyl)-3-hydroxy-5-methoxy-benzoic acid methyl ester
  • 2-[(6,8-dihydroxy-3-methyl-1-oxo-7-isochromenyl)-oxomethyl]-3-hydroxy-5-methoxybenzoic acid methyl ester
  • methyl 2-(6,8-dihydroxy-3-methyl-1-oxo-isochromen-7-yl)carbonyl-3-hydroxy-5-methoxy-benzoate
  • methyl 2-(6,8-dihydroxy-3-methyl-1-oxoisochromene-7-carbonyl)-3-hydroxy-5-methoxybenzoate
InChIKey MYFOFPHZNZXXJC-UHFFFAOYSA-N
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