9H-β-Carboline-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C12H8N2O2
IUPAC Name pyrido[3,4-b]indol-9-ium-3-carboxylic acid
Molecular Mass 212.204 g·mol−1
Heat of Formation -69.1 ± 16.7 kJ·mol−1
Dipole Moment 5.03 ± 1.08 D
Volume 234.44 Å 3
Surface Area 227.13 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 2.02 ± eV
Point Group Symmetry Cs
Synonyms
  • 9h-$b-carboline-3-carboxylic acid
  • 9h-.beta.-carboline-3-carboxylic acid
  • 9h-pyrido(3,4-b)indole-3-carboxylic acid
  • 9h-pyrido[5,4-b]indole-3-carboxylic acid
  • beta-carboline carboxylic acid
CAS Number(s)
  • 74214-63-4
InChIKey ARLVFKCLBYUINL-UHFFFAOYSA-N
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