4,4'',5',6'-Tetrahydroxy-1,1':4',1''-Terphenyl-2',3'-Diyl Bis(Phenylacetate)

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Properties Simple | Detailed

Formula C25H14O8
IUPAC Name [3,4-dihydroxy-2,5-bis(4-hydroxyphenyl)-6-(2-phenylacetyl)oxyphenyl] 2-phenylacetate
Molecular Mass 442.374 g·mol−1
Heat of Formation 1478.9 ± 16.7 kJ·mol−1
Dipole Moment 23.11 ± 1.08 D
Volume 449.41 Å 3
Surface Area 405.58 Å 2
HOMO Energy -8.34 ± 0.55 eV
LUMO Energy -3.33 ± eV
Point Group Symmetry C1
Synonyms
  • 2-phenylacetic acid [3,4-dihydroxy-2,5-bis(4-hydroxyphenyl)-6-(1-oxo-2-phenylethoxy)phenyl] ester
  • 2-phenylacetic acid [3,4-dihydroxy-2,5-bis(4-hydroxyphenyl)-6-(2-phenylacetyl)oxy-phenyl] ester
  • [3,4-dihydroxy-2,5-bis(4-hydroxyphenyl)-6-(2-phenylacetyl)oxy-phenyl] 2-phenylacetate
  • [3,4-dihydroxy-2,5-bis(4-hydroxyphenyl)-6-(2-phenylethanoyloxy)phenyl] 2-phenylethanoate
InChIKey NOJUKCRPSUMHQQ-UHFFFAOYSA-N
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