(2S)-2-(1,3-Benzodioxol-5-Yl)-5,7-Dimethoxy-8-(3-Methyl-2-Buten-1-Yl)-2,3-Dihydro-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C23H24O6
IUPAC Name (2s)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-8-(3-methylbut-2-enyl)chroman-4-one
Molecular Mass 396.433 g·mol−1
Heat of Formation -755.9 ± 16.7 kJ·mol−1
Dipole Moment 2.25 ± 1.08 D
Volume 464.61 Å 3
Surface Area 378.82 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 2.68 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-4-chromanone
  • (2s)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-8-(3-methylbut-2-enyl)chroman-4-one
  • 4h-1-benzopyran-4-one, 2-(1,3-benzodioxol-5-yl)-2,3-dihydro-5,7-dimethoxy-8-(3-methyl-2-butenyl)-, (s)-
  • pongapinone b
CAS Number(s)
  • 146713-94-2
InChIKey QNKSZZRDFRCBNL-SFHVURJKSA-N
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