Dimethyl (1R,4S)-5,6-Bis(4-Hydroxyphenyl)-7-Oxabicyclo[2.2.1]Hepta-2,5-Diene-2,3-Dicarboxylate

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Formula C22H18O7
IUPAC Name dimethyl (1r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
Molecular Mass 394.374 g·mol−1
Heat of Formation -763.7 ± 16.7 kJ·mol−1
Dipole Moment 1.45 ± 1.08 D
Volume 448.02 Å 3
Surface Area 378.56 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 1.88 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4s)-dimethyl 5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
  • (1s,4r)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic acid dimethyl ester
  • dimethyl (1s,4r)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
InChIKey CRLQCBACIMUGDZ-BGYRXZFFSA-N
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