Harman-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C13H10N2O2
IUPAC Name 1-methyl-9h-pyrido[3,4-b]indole-3-carboxylic acid
Molecular Mass 226.231 g·mol−1
Heat of Formation -109.6 ± 16.7 kJ·mol−1
Dipole Moment 5.17 ± 1.08 D
Volume 255.86 Å 3
Surface Area 245.13 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-mbcca
  • 1-methyl-9h-$b-carboline-3-carboxylic acid
  • 1-methyl-9h-beta-carboline-3-carboxylic acid
  • 1-methyl-9h-pyrido(3,4-b)indole-3-carboxylic acid
  • 1-methyl-9h-pyrido[5,4-b]indole-3-carboxylic acid
  • 1-methyl-beta-carboline-3-carboxylic acid
  • 9h-pyrido(3,4-b)indole-3-carboxylic acid, 1-methyl-
  • ag-670/31515058
  • bas 00319127
  • oprea1_398090
  • oprea1_794881
CAS Number(s)
  • 22329-38-0
InChIKey MFEZJNMQTQMDRQ-UHFFFAOYSA-N
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