{[2'-(5-Ethyl-3,4-Diphenyl-1H-Pyrazol-1-Yl)-3-Biphenylyl]Oxy}Acetic Acid

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Properties Simple | Detailed

Formula C31H26N2O3
IUPAC Name 3-[2-[(3s)-3-ethyl-5-[(4z)-hexa-1,4-dienylidene]-4-(2-hydroperoxyphenyl)-3,4-dihydropyrazol-2-yl]phenyl]penta-1,4-diyn-1-ol
Molecular Mass 474.550 g·mol−1
Heat of Formation 9.0 ± 16.7 kJ·mol−1
Dipole Moment 4.28 ± 1.08 D
Volume 577.37 Å 3
Surface Area 430.12 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 2.59 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[3-[2-[5-ethyl-3,4-di(phenyl)-1-pyrazolyl]phenyl]phenoxy]acetic acid
  • 2-[3-[2-[5-ethyl-3,4-di(phenyl)pyrazol-1-yl]phenyl]phenoxy]acetic acid
  • 2-[3-[2-[5-ethyl-3,4-di(phenyl)pyrazol-1-yl]phenyl]phenoxy]ethanoic acid
  • t4b
InChIKey SJRVJRYZAQYCEE-UHFFFAOYSA-N
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