3-Hydroxymethyl-B-Carboline

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Properties Simple | Detailed

Formula C12H10N2O
IUPAC Name pyrido[3,4-b]indol-9-ium-3-ylmethanol
Molecular Mass 198.221 g·mol−1
Heat of Formation 82.8 ± 16.7 kJ·mol−1
Dipole Moment 4.02 ± 1.08 D
Volume 231.82 Å 3
Surface Area 223.81 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • 3-hydroxymethyl-beta-carboline
  • 9h-$b-carbolin-3-ylmethanol
  • 9h-pyrido(3,4-b)indole-3-methanol
  • 9h-pyrido[5,4-b]indol-3-ylmethanol
  • biomol-nt_000286
  • bpbio1_001234
CAS Number(s)
  • 65474-79-5
InChIKey CPBYHTDUBNSBQM-UHFFFAOYSA-N
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