5,7-Dimethoxy-6-(3-Methyl-2-Buten-1-Yl)-2H-Chromen-2-One

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Properties Simple | Detailed

Formula C16H18O4
IUPAC Name 5,7-dimethoxy-6-(3-methylbut-2-enyl)chromen-2-one
Molecular Mass 274.312 g·mol−1
Heat of Formation -529.1 ± 16.7 kJ·mol−1
Dipole Moment 4.56 ± 1.08 D
Volume 332.97 Å 3
Surface Area 293.07 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyran-2-one, 5,7-dimethoxy-6-(3-methyl-2-butenyl)-
  • 5,7-dimethoxy-6-(3-methylbut-2-enyl)-2-chromenone
  • 5,7-dimethoxy-6-(3-methylbut-2-enyl)coumarin
  • toddaculin
  • toddaculine
CAS Number(s)
  • 4335-12-0
InChIKey KRQHZFHWEAJPNO-UHFFFAOYSA-N
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