8-[3-Methyl-2-(3-Pyridinyl)-1H-Indol-1-Yl]Octanoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C22H26N2O2
IUPAC Name 8-[3-methyl-2-(3-pyridyl)indol-1-ium-2-ylium-1-yl]octanoic acid
Molecular Mass 350.454 g·mol−1
Heat of Formation -240.2 ± 16.7 kJ·mol−1
Dipole Moment 1.88 ± 1.08 D
Volume 455.63 Å 3
Surface Area 399.21 Å 2
HOMO Energy -8.24 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-indole-1-octanoic acid, 3-methyl-2-(3-pyridinyl)-
  • 3-methyl-2-(3-pyridinyl)-1h-indole-1-octanoic acid
  • 3-methyl-2-(3-pyridyl)-1-indoleoctanoic acid
  • 8-(3-methyl-2-pyridin-3-yl-indol-1-yl)octanoic acid
  • 8-(3-methyl-2-pyridin-3-ylindol-1-yl)octanoic acid
  • 8-[3-methyl-2-(3-pyridyl)-1-indolyl]octanoic acid
  • 8-[3-methyl-2-(3-pyridyl)indol-1-yl]caprylic acid
  • 8-[3-methyl-2-(3-pyridyl)indol-1-yl]octanoic acid
  • cgs-12970
CAS Number(s)
  • 87627-28-9
InChIKey CVVKIXNPXDBREE-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N