2-(1,3-Benzodioxol-5-Yl)-1-Methyl-4(1H)-Quinolinone

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Properties Simple | Detailed

Formula C17H13NO3
IUPAC Name 2-(1,3-benzodioxol-5-yl)-1-methyl-quinolin-4-one
Molecular Mass 279.290 g·mol−1
Heat of Formation -146.5 ± 16.7 kJ·mol−1
Dipole Moment 7.17 ± 1.08 D
Volume 316.29 Å 3
Surface Area 285.7 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(1,3-benzodioxol-5-yl)-1-methyl-4-quinolinone
  • 2-(1,3-benzodioxol-5-yl)-1-methyl-4-quinolone
  • 2-(1,3-benzodioxol-5-yl)-1-methyl-quinolin-4-one
  • 2-(1,3-benzodioxol-5-yl)-1-methylquinolin-4-one
  • bpbio1_000845
  • graveoline
  • oprea1_746980
CAS Number(s)
  • 485-61-0
InChIKey COBBNRKBTCBWQP-UHFFFAOYSA-N
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