(2Z)-3-Bromo-4-Oxo-4-[4-(Pentyloxy)Phenyl]-2-Butenoic Acid

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Properties Simple | Detailed

Formula C15H17BrO4
IUPAC Name (z)-3-bromo-4-oxo-4-(4-pentoxyphenyl)but-2-enoic acid
Molecular Mass 341.197 g·mol−1
Heat of Formation -583.8 ± 16.7 kJ·mol−1
Dipole Moment 5.52 ± 1.08 D
Volume 352.62 Å 3
Surface Area 333.81 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-bromo-4-oxo-4-(4-(pentyloxy)phenyl)-2-butenoic acid
  • (z)-3-bromo-4-oxo-4-(4-pentoxyphenyl)but-2-enoic acid
  • (z)-4-(4-amoxyphenyl)-3-bromo-4-keto-but-2-enoic acid
  • 2-butenoic acid, 3-bromo-4-oxo-4-(4-(pentyloxy)phenyl)-
  • 2-butenoic acid, 3-bromo-4-oxo-4-(4-(pentyloxy)phenyl)-, (e)-
  • 2-butenoic acid, 3-bromo-4-oxo-4-[4-(pentyloxy)phenyl]-, (e)-
  • 3-bromo-4-oxo-4-(4-pentoxyphenyl)but-2-enoic acid
  • 4-(4-amoxyphenyl)-3-bromo-4-keto-but-2-enoic acid
  • beta-4-n-pentoxybenzoyl-beta-bromacrylic acid
  • penberol
CAS Number(s)
  • 42241-78-1
  • 24740-92-9
InChIKey KPUGJSNAPAAEJB-RAXLEYEMSA-N
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Elements H C O Br