(2S)-7-Hydroxy-2-[4-Hydroxy-3-(3-Methyl-2-Buten-1-Yl)Phenyl]-2,3-Dihydro-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C20H20O4
IUPAC Name (2s)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chroman-4-one
Molecular Mass 324.370 g·mol−1
Heat of Formation -542.4 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 390.14 Å 3
Surface Area 351.89 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-4-chromanone
  • (2s)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chroman-4-one
InChIKey NLTOTZSPOYWSSP-IBGZPJMESA-N
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