4-{(2E)-3-[4-Hydroxy-3,5-Bis(2-Methyl-2-Propanyl)Phenyl]-2-Propenoyl}Benzoic Acid

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Properties Simple | Detailed

Formula C24H28O4
IUPAC Name 4-[(e)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)prop-2-enoyl]benzoic acid
Molecular Mass 380.477 g·mol−1
Heat of Formation -638.4 ± 16.7 kJ·mol−1
Dipole Moment 4.61 ± 1.08 D
Volume 478.63 Å 3
Surface Area 413.35 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(e)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)acryloyl]benzoic acid
  • 4-[(e)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)prop-2-enoyl]benzoic acid
  • 4-[(e)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxoprop-2-enyl]benzoic acid
  • 4-[(e)-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoyl]benzoic acid
  • benzoic acid, 4-(3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-1-oxo-2-propenyl)-
  • r 8923
  • r-8923
  • r8923
CAS Number(s)
  • 159359-57-6
InChIKey NPBDIAQXUDCIBQ-KPKJPENVSA-N
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