(1R,3S)-1-(2-Furyl)-2,3,4,9-Tetrahydro-1H-β-Carboline-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C16H14N2O3
IUPAC Name (1r,3s)-1-(2-furyl)-1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ium-9a-ylium-3-carboxylic acid
Molecular Mass 282.294 g·mol−1
Heat of Formation -193.0 ± 16.7 kJ·mol−1
Dipole Moment 2.56 ± 1.08 D
Volume 322.36 Å 3
Surface Area 291.91 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s)-1-(2-furyl)-2,3,4,9-tetrahydro-1h-$b-carboline-3-carboxylic acid
  • (1r,3s)-1-(2-furyl)-2,3,4,9-tetrahydro-1h-pyrido[5,4-b]indole-3-carboxylic acid
  • (1r,3s)-1-furan-2-yl-2,3,4,9-tetrahydro-1h-pyrido[5,4-b]indole-3-carboxylic acid
  • 1-(2-furyl)-1,2,3,4-tetrahydro-9h-pyrido(3,4-b)indole-3-carboxylic acid
  • 1-furyl-beta-carboline-3-carboxylic acid
  • 1h-pyrido(3,4-b)indole-3-carboxylic acid, 1-(2-furanyl)-2,3,4,9-tetrahydro-, (1r-cis)-
  • fcca
CAS Number(s)
  • 91308-65-5
InChIKey ZAOCCYZFRAVVGT-WFASDCNBSA-N
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