1-(3-(4-Octylphenoxy)-2-Oxopropyl)Indole-5-Carboxylic Acid

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Properties Simple | Detailed

Formula C26H31NO4
IUPAC Name 1-[3-(4-octylphenoxy)-2-oxo-propyl]indol-1-ium-5-carboxylic acid
Molecular Mass 421.529 g·mol−1
Heat of Formation -546.2 ± 16.7 kJ·mol−1
Dipole Moment 5.91 ± 1.08 D
Volume 536.83 Å 3
Surface Area 490.04 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 2.51 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[2-keto-3-(4-octylphenoxy)propyl]indole-5-carboxylic acid
  • 1-[3-(4-octylphenoxy)-2-oxo-propyl]indole-5-carboxylic acid
  • 1-[3-(4-octylphenoxy)-2-oxopropyl]-5-indolecarboxylic acid
  • 1-[3-(4-octylphenoxy)-2-oxopropyl]indole-5-carboxylic acid
InChIKey QGRRJJFZKZREIR-UHFFFAOYSA-N
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