Methyl 9H-B-Carboline-3-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C13H10N2O2
IUPAC Name methyl pyrido[3,4-b]indol-9-ium-3-carboxylate
Molecular Mass 226.231 g·mol−1
Heat of Formation -49.5 ± 16.7 kJ·mol−1
Dipole Moment 4.34 ± 1.08 D
Volume 256.75 Å 3
Surface Area 247.61 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-carbomethoxy-beta-carboline
  • 9h-$b-carboline-3-carboxylic acid methyl ester
  • 9h-pyrido(3,4-b)indole-3-carboxylic acid, methyl ester
  • 9h-pyrido[5,4-b]indole-3-carboxylic acid methyl ester
  • beta-carboline-3-carboxylic acid methyl ester
  • beta-ccm
  • biomol-nt_000273
  • bpbio1_001036
  • methyl 9h-pyrido(3,4-b)indole-3-carboxylate
  • methyl 9h-pyrido[5,4-b]indole-3-carboxylate
  • methyl beta-carboline-3-carboxylate
  • pdsp1_000635
  • pdsp1_001774
  • pdsp2_000630
  • pdsp2_001757
CAS Number(s)
  • 69954-48-9
InChIKey UKHFPVCOXBJPIN-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N