3-{4-[(1E,3E,5E)-6-Phenyl-1,3,5-Hexatrien-1-Yl]Phenyl}Propanoic Acid

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Properties Simple | Detailed

Formula C21H20O2
IUPAC Name 3-[4-[(1e,3e,5e)-6-phenylhexa-1,3,5-trienyl]phenyl]propanoic acid
Molecular Mass 304.382 g·mol−1
Heat of Formation -79.0 ± 16.7 kJ·mol−1
Dipole Moment 1.77 ± 1.08 D
Volume 389.64 Å 3
Surface Area 374.67 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • (3-(4-(6-phenyl)-1,3,5-hexatrienyl)phenyl)proionic acid
  • (3-(4-(6-phenyl)-1,3,5-hexatrienyl)phenyl)propionic acid
  • 1,6-diphenyl-1,3,5-hexatriene-4'-propionic acid
  • 1-(4'-carboxyethyl)-6-diphenyl-1,3,5-hexatriene
  • 3-[4-(6-phenyl-1,3,5-hexatrien-1-yl)phenyl]propionic acid
  • 3-[4-(6-phenylhexa-1,3,5-trienyl)phenyl]propanoic acid
  • 3-[4-(6-phenylhexa-1,3,5-trienyl)phenyl]propionic acid
  • 3-[4-[(1e,3e,5e)-6-phenylhexa-1,3,5-trienyl]phenyl]propanoic acid
  • 3-[4-[(1e,3e,5e)-6-phenylhexa-1,3,5-trienyl]phenyl]propionic acid
  • benzenepropanoic acid, 4-(6-phenyl-1,3,5-hexatrienyl)-, (e,e,e)-
  • cedpht
  • dph-pa
  • pa-dph
CAS Number(s)
  • 85125-40-2
InChIKey SINKVNIAFSCCOS-HOXLXQKJSA-N
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