Isbogrel

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Properties Simple | Detailed

Formula C18H19NO2
IUPAC Name (e)-7-phenyl-7-(3-pyridyl)hept-6-enoic acid
Molecular Mass 281.349 g·mol−1
Heat of Formation -196.9 ± 16.7 kJ·mol−1
Dipole Moment 2.80 ± 1.08 D
Volume 357.41 Å 3
Surface Area 312.85 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
Synonyms
  • (6e)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid
  • (e)-7-phenyl-7-(3-pyridinyl)-6-heptenoic acid
  • (e)-7-phenyl-7-(3-pyridyl)-6-heptenoic acid
  • (e)-7-phenyl-7-(3-pyridyl)hept-6-enoic acid
  • (e)-7-phenyl-7-pyridin-3-yl-hept-6-enoic acid
  • (e)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid
  • 6-heptenoic acid, 7-phenyl-7-(3-pyridinyl)-, (e)-
  • a-66900
  • cv 4151
  • cv-4151
CAS Number(s)
  • 89667-40-3
InChIKey UWPBQLKEHGGKKD-GZTJUZNOSA-N
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