Tcmdc-132026

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Formula C16H21NO
IUPAC Name 2-heptyl-1,3,5,6,7,8-hexahydroquinoline-2,3,4a,5,6,7,8,8a-octaid-4-one
Molecular Mass 243.344 g·mol−1
Heat of Formation -167.3 ± 16.7 kJ·mol−1
Dipole Moment 6.37 ± 1.08 D
Volume 322.91 Å 3
Surface Area 307.86 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 2.60 ± eV
Point Group Symmetry C1
Synonyms
  • 2-heptyl-4-hydroxyquinoline
  • 2-heptyl-4-quinolone
  • 4-quinolinol, 2-heptyl-
  • my 12-62c
  • my-12-62c
CAS Number(s)
  • 2503-80-2
InChIKey UYRHHBXYXSYGHA-UHFFFAOYSA-N
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Elements H C O N