2-Hydroxy-5-Methoxy-3-(Methoxycarbonyl)Phenyl 6,8-Dihydroxy-3-Methyl-1-Oxo-1H-Isochromene-7-Carboxylate

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Properties Simple | Detailed

Formula C20H17O10+
IUPAC Name (2-hydroxy-5-methoxy-3-methoxycarbonyl-phenyl) 6,8-dihydroxy-3-methyl-1-oxo-isochromene-7-carboxylate
Molecular Mass 417.343 g·mol−1
Heat of Formation -1501.5 ± 16.7 kJ·mol−1
Dipole Moment 4.65 ± 1.08 D
Volume 438.8 Å 3
Surface Area 394.34 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
Synonyms
  • (2-hydroxy-5-methoxy-3-methoxycarbonylphenyl) 6,8-dihydroxy-3-methyl-1-oxoisochromene-7-carboxylate
  • 6,8-dihydroxy-1-keto-3-methyl-isochromene-7-carboxylic acid (3-carbomethoxy-2-hydroxy-5-methoxy-phenyl) ester
  • 6,8-dihydroxy-3-methyl-1-oxo-7-isochromenecarboxylic acid (2-hydroxy-5-methoxy-3-methoxycarbonylphenyl) ester
InChIKey RFIFNISZAQAYIG-UHFFFAOYSA-N
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