Phyllodulcin

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Properties Simple | Detailed

Formula C16H14O5
IUPAC Name (3r)-8-hydroxy-3-(3-hydroxy-4-methoxy-phenyl)isochroman-1-one
Molecular Mass 286.279 g·mol−1
Heat of Formation -647.5 ± 16.7 kJ·mol−1
Dipole Moment 4.78 ± 1.08 D
Volume 319.91 Å 3
Surface Area 294.9 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-8-hydroxy-3-(3-hydroxy-4-methoxy-phenyl)isochroman-1-one
  • (3r)-8-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-1-isochromanone
  • (3r)-8-hydroxy-3-(3-hydroxy-4-methoxyphenyl)isochroman-1-one
  • (r)-3,4-dihydro-8-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-1h-2-benzopyran-1-one
  • 1h-2-benzopyran-1-one, 3,4-dihydro-8-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-, (r)-
CAS Number(s)
  • 21499-23-0
InChIKey PBILBHLAPJTJOT-CQSZACIVSA-N
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