Demethacin

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Properties Simple | Detailed

Formula C18H15NO3
IUPAC Name 2-(1-benzoyl-2-methyl-indol-3-yl)acetic acid
Molecular Mass 293.317 g·mol−1
Heat of Formation -301.0 ± 16.7 kJ·mol−1
Dipole Moment 1.75 ± 1.08 D
Volume 344.68 Å 3
Surface Area 302.25 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • 1-benzoyl-2-methyl-3-indolylessigsaeure
  • 1-benzoyl-2-methylindole-3-acetic acid
  • 1h-indole-3-acetic acid, 1-benzoyl-2-methyl- (9ci)
  • 2-(2-methyl-1-phenylcarbonyl-indol-3-yl)ethanoic acid
  • 2-[1-(benzoyl)-2-methyl-indol-3-yl]acetic acid
  • 2-[1-(benzoyl)-2-methylindol-3-yl]acetic acid
  • 2-[2-methyl-1-(oxo-phenylmethyl)-3-indolyl]acetic acid
  • delmetacin
  • delmetacina [spanish]
  • demetacin
  • ur 2310
  • ur-2310
CAS Number(s)
  • 16401-80-2
InChIKey AZCOEIZFVQEQCU-UHFFFAOYSA-N
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