2-Hydroxy-4-Methoxy-6-(Methoxycarbonyl)Phenyl 6,8-Dihydroxy-3-Methyl-1-Oxo-1H-Isochromene-7-Carboxylate

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Properties Simple | Detailed

Formula C20H16O10
IUPAC Name (2-hydroxy-4-methoxy-6-methoxycarbonyl-phenyl) 6,8-dihydroxy-3-methyl-1-oxo-isochromene-7-carboxylate
Molecular Mass 416.335 g·mol−1
Heat of Formation -1536.9 ± 16.7 kJ·mol−1
Dipole Moment 3.61 ± 1.08 D
Volume 438.45 Å 3
Surface Area 378.9 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • (2-hydroxy-4-methoxy-6-methoxycarbonylphenyl) 6,8-dihydroxy-3-methyl-1-oxoisochromene-7-carboxylate
  • 6,8-dihydroxy-1-keto-3-methyl-isochromene-7-carboxylic acid (2-carbomethoxy-6-hydroxy-4-methoxy-phenyl) ester
  • 6,8-dihydroxy-3-methyl-1-oxo-7-isochromenecarboxylic acid (2-hydroxy-4-methoxy-6-methoxycarbonylphenyl) ester
InChIKey FYRHLZVZOQUTTL-UHFFFAOYSA-N
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