4-[(1E)-3-(3,5-Di-Tert-Butylphenyl)-3-Oxoprop-1-En-1-Yl]Benzoic Acid

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Properties Simple | Detailed

Formula C24H28O3
IUPAC Name 4-[(e)-3-(3,5-ditert-butylphenyl)-3-oxo-prop-1-enyl]benzoic acid
Molecular Mass 364.477 g·mol−1
Heat of Formation -464.8 ± 16.7 kJ·mol−1
Dipole Moment 4.37 ± 1.08 D
Volume 475.2 Å 3
Surface Area 412.14 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-4-(3-(3,5-bis(1,1-dimethylethyl)phenyl)-3-oxo-1-propenyl)benzoic acid
  • 3,5-di-tert-butylchalcone
  • 3,5-di-tert-butylchalcone 4'-carboxylic acid
  • 3,5-di-tert-butylchalcone-4'-carboxylic acid
  • 4-(3-(3,5-di-t-butylphenyl)-3-oxo-1-propenyl)benzoic acid
  • 4-(3-(3,5-di-tert-butylphenyl)-3-oxo-1-propenyl)benzoic acid
  • 4-[(e)-3-(3,5-ditert-butylphenyl)-3-keto-prop-1-enyl]benzoic acid
  • 4-[(e)-3-(3,5-ditert-butylphenyl)-3-oxo-prop-1-enyl]benzoic acid
  • 4-[(e)-3-(3,5-ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid
  • 4-[3-(3,5-ditert-butylphenyl)-3-keto-prop-1-enyl]benzoic acid
  • 4-[3-(3,5-ditert-butylphenyl)-3-oxo-prop-1-enyl]benzoic acid
  • 4-[3-(3,5-ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid
  • benzoic acid, 4-(3-(3,5-bis(1,1-dimethylethyl)phenyl)-3-oxo-1-propenyl)-
  • benzoic acid, 4-(3-(3,5-bis(1,1-dimethylethyl)phenyl)-3-oxo-1-propenyl)-, (e)-
  • ch 55
  • ch-55
CAS Number(s)
  • 95906-67-5
  • 110368-33-7
InChIKey FOUVTBKPJRMLPE-FMIVXFBMSA-N
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