Kynapcin 24

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Properties Simple | Detailed

Formula C20H14O10
IUPAC Name methyl 3-(5,6-dihydroxy-2-methoxycarbonyl-benzofuran-3-yl)-5,6-dihydroxy-benzofuran-2-carboxylate
Molecular Mass 414.319 g·mol−1
Heat of Formation -1299.5 ± 16.7 kJ·mol−1
Dipole Moment 2.78 ± 1.08 D
Volume 435.98 Å 3
Surface Area 382.96 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(2-carbomethoxy-5,6-dihydroxy-benzofuran-3-yl)-5,6-dihydroxy-benzofuran-2-carboxylic acid methyl ester
  • 3-(5,6-dihydroxy-2-methoxycarbonyl-3-benzofuranyl)-5,6-dihydroxy-2-benzofurancarboxylic acid methyl ester
  • methyl 3-(5,6-dihydroxy-2-methoxycarbonyl-1-benzofuran-3-yl)-5,6-dihydroxy-1-benzofuran-2-carboxylate
InChIKey IVZFDKACPFMQDJ-UHFFFAOYSA-N
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Elements H C O