4-(3-Hydroperoxy-3-Methyl-1-Butenyl)-9-Methoxy-7H-Furo(3,2-G)(1)Benzopyran-7-One

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Properties Simple | Detailed

Formula C17H16O6
IUPAC Name 4-[(e)-3-hydroperoxy-3-methyl-but-1-enyl]-9-methoxy-furo[3,2-g]chromen-7-one
Molecular Mass 316.305 g·mol−1
Heat of Formation -454.4 ± 16.7 kJ·mol−1
Dipole Moment 4.27 ± 1.08 D
Volume 363.49 Å 3
Surface Area 317.67 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(e)-3-hydroperoxy-3-methyl-but-1-enyl]-9-methoxy-furo[3,2-g]chromen-7-one
  • 4-[(e)-3-hydroperoxy-3-methylbut-1-enyl]-9-methoxy-7-furo[3,2-g]chromenone
  • 4-[(e)-3-hydroperoxy-3-methylbut-1-enyl]-9-methoxyfuro[3,2-g]chromen-7-one
  • 7h-furo(3,2-g)(1)benzopyran-7-one, 4-(3-hydroperoxy-3-methyl-1-butenyl)-9-methoxy-
  • hoo-mbm-furocoumarin
CAS Number(s)
  • 160858-31-1
InChIKey JUFMJFCBUMNBJS-SOFGYWHQSA-N
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