4,7,8-Trihydroxy-3-(4-Hydroxyphenyl)Dibenzo[B,D]Furan-1,2-Diyl Bis(Phenylacetate)

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Properties Simple | Detailed

Formula C24H14O9
IUPAC Name 2,3-bis(2-hydroxyethynyl)-6-(4-oxocyclohexa-2,5-dien-1-ylidene)benzofuran-4,5,7-trione; prop-1-yn-1-ol
Molecular Mass 446.363 g·mol−1
Heat of Formation 1159.0 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 367.96 Å 3
Surface Area 307.9 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy -3.12 ± eV
Point Group Symmetry C1
Synonyms
  • 2-phenylacetic acid [4,7,8-trihydroxy-3-(4-hydroxyphenyl)-2-(1-oxo-2-phenylethoxy)-1-dibenzofuranyl] ester
  • 2-phenylacetic acid [4,7,8-trihydroxy-3-(4-hydroxyphenyl)-2-(2-phenylacetyl)oxy-dibenzofuran-1-yl] ester
  • [4,7,8-trihydroxy-3-(4-hydroxyphenyl)-2-(2-phenylacetyl)oxydibenzofuran-1-yl] 2-phenylacetate
  • [4,7,8-trihydroxy-3-(4-hydroxyphenyl)-2-(2-phenylethanoyloxy)dibenzofuran-1-yl] 2-phenylethanoate
InChIKey FMUSGJFTMXBKQN-UHFFFAOYSA-N
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