3-(2-Carboxyethyl)-1H-Indole-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C12H11NO4
IUPAC Name 3-(2-carboxyethyl)indol-1-ium-2-carboxylic acid
Molecular Mass 233.220 g·mol−1
Heat of Formation -624.3 ± 16.7 kJ·mol−1
Dipole Moment 3.84 ± 1.08 D
Volume 266.66 Å 3
Surface Area 248.84 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-indole-3-propanoic acid, 2-carboxy-
  • 3-(2-carboxy-ethyl)-1h-indole-2-carboxylic acid
  • 3-(2-carboxyindol-3-yl)propionic acid
  • bas 05590122
  • chemdiv2_001615
  • cipa
CAS Number(s)
  • 31529-28-9
InChIKey BYJQAPYDPPKJGH-UHFFFAOYSA-N
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