1-[5-(Hydroxymethyl)-2-Furyl]-9H-β-Carboline-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C17H12N2O4
IUPAC Name 1-[5-(hydroxymethyl)-2-furyl]pyrido[3,4-b]indol-9-ium-3-carboxylic acid
Molecular Mass 308.288 g·mol−1
Heat of Formation -284.0 ± 16.7 kJ·mol−1
Dipole Moment 6.42 ± 1.08 D
Volume 337.84 Å 3
Surface Area 310.12 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(5-methylol-2-furyl)-9h-$b-carboline-3-carboxylic acid
  • 1-[5-(hydroxymethyl)-2-furyl]-9h-pyrido[5,4-b]indole-3-carboxylic acid
  • 1-[5-(hydroxymethyl)furan-2-yl]-9h-pyrido[5,4-b]indole-3-carboxylic acid
  • 9h-pyrido(3,4-b)indole-3-carboxylic acid, 1-(5-(hydroxymethyl)-2-furanyl)-
  • flazin
  • flazine
CAS Number(s)
  • 100041-05-2
InChIKey USBWYUYKHHILLZ-UHFFFAOYSA-N
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