5,7-Dihydroxy-6-Isobutyryl-8-(3-Methyl-2-Buten-1-Yl)-4-Phenyl-2H-Chromen-2-One

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Properties Simple | Detailed

Formula C24H25O5+
IUPAC Name 5,7-dihydroxy-8-(3-methylbut-2-enyl)-6-(2-methylpropanoyl)-4-phenyl-chromen-2-one
Molecular Mass 393.452 g·mol−1
Heat of Formation -725.8 ± 16.7 kJ·mol−1
Dipole Moment 6.43 ± 1.08 D
Volume 463.82 Å 3
Surface Area 392.58 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyran-2-one, 5,7-dihydroxy-8-(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-4-phenyl-
  • 5,7-dihydroxy-6-isobutyryl-8-(3-methylbut-2-enyl)-4-phenyl-coumarin
  • 5,7-dihydroxy-8-(3-methylbut-2-enyl)-6-(2-methyl-1-oxopropyl)-4-phenyl-2-chromenone
  • 5,7-dihydroxy-8-(3-methylbut-2-enyl)-6-(2-methylpropanoyl)-4-phenylchromen-2-one
  • coumarin, 5,7-dihydroxy-6-isobutyryl-8-(3-methyl-2-butenyl)-4-phenyl-
  • mesuol
CAS Number(s)
  • 16981-20-7
InChIKey IWUNXYBEJCJQHB-UHFFFAOYSA-N
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