Glycycoumarin

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Properties Simple | Detailed

Formula C21H21O6+
IUPAC Name 3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)chromen-2-one
Molecular Mass 369.388 g·mol−1
Heat of Formation -838.9 ± 16.7 kJ·mol−1
Dipole Moment 8.42 ± 1.08 D
Volume 428.94 Å 3
Surface Area 374.8 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(2,4-dihydroxy-phenyl)-7-hydroxy-5-methoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-2-one
  • 3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-2-chromenone
  • 3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)coumarin
CAS Number(s)
  • 94805-82-0
InChIKey NZYSZZDSYIBYLC-UHFFFAOYSA-N
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