4-((1E)-2-(5-Isopropyl-2-Thienyl)-1-Propen-1-Yl)Benzoic Acid

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Properties Simple | Detailed

Formula C17H18O2S
IUPAC Name 4-[(e)-2-(5-isopropyl-2-thienyl)prop-1-enyl]benzoic acid
Molecular Mass 286.389 g·mol−1
Heat of Formation -232.5 ± 16.7 kJ·mol−1
Dipole Moment 3.75 ± 1.08 D
Volume 356.66 Å 3
Surface Area 323.06 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-4-(2-(2-isopropyl-5-thienyl)propenyl)benzoic acid
  • (e)-4-(2-(5-(1-methylethyl)-2-thienyl)-1-propenyl)benzoic acid
  • 4-[(e)-2-(5-isopropyl-2-thienyl)prop-1-enyl]benzoic acid
  • benzoic acid, 4-(2-(5-(1-methylethyl)-2-thienyl)-1-propenyl)-, (e)-
  • cbs 211 a
  • cbs 211a
  • cbs-211a
  • namirotene
  • p-((e)-2-(5-isopropyl-2-thienyl)propenyl)benzoic acid
CAS Number(s)
  • 101506-83-6
InChIKey GDDUESKGWJTHLR-ZRDIBKRKSA-N
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