(2S)-7-Hydroxy-2-(4-Hydroxyphenyl)-8-(3-Methyl-2-Buten-1-Yl)-2,3-Dihydro-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C20H20O4
IUPAC Name (2s)-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one
Molecular Mass 324.370 g·mol−1
Heat of Formation -552.0 ± 16.7 kJ·mol−1
Dipole Moment 2.54 ± 1.08 D
Volume 393.43 Å 3
Surface Area 321.99 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-4-chromanone
  • (2s)-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one
CAS Number(s)
  • 31524-62-6
InChIKey KYFBXCHUXFKMGQ-IBGZPJMESA-N
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Elements H C O