Coumarin, 7-Methoxy-6-(3-Methyl-2-Butenyl)-

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Properties Simple | Detailed

Formula C15H16O3
IUPAC Name 7-methoxy-6-(3-methylbut-2-enyl)chromen-2-one
Molecular Mass 244.286 g·mol−1
Heat of Formation -368.8 ± 16.7 kJ·mol−1
Dipole Moment 5.06 ± 1.08 D
Volume 299.65 Å 3
Surface Area 281.13 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyran-2-one, 7-methoxy-6-(3-methyl-2-butenyl)-
  • 2h-1-benzopyran-2-one, 7-methoxy-6-(3-methyl-2-butenyl)- (9ci)
  • 7-methoxy-6-(3-methylbut-2-en-1-yl)-2h-chromen-2-one
  • 7-methoxy-6-(3-methylbut-2-enyl)-2-chromenone
  • 7-methoxy-6-(3-methylbut-2-enyl)coumarin
  • acon1_000574
  • coumarin, 7-methoxy-6-(3-methyl-2-butenyl)- (8ci)
  • megxp0_001424
  • suberosin
CAS Number(s)
  • 581-31-7
InChIKey RSZDAYHEZSRVHS-UHFFFAOYSA-N
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