(2Z)-3-(1,3-Benzodioxol-5-Yl)-1-(5,7-Dimethoxy-2,2-Dimethyl-2H-Chromen-6-Yl)-3-Hydroxy-2-Propen-1-One

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Properties Simple | Detailed

Formula C23H22O7
IUPAC Name (z)-3-(1,3-benzodioxol-5-yl)-1-(5,7-dimethoxy-2,2-dimethyl-chromen-6-yl)-3-hydroxy-prop-2-en-1-one
Molecular Mass 410.417 g·mol−1
Heat of Formation -866.6 ± 16.7 kJ·mol−1
Dipole Moment 2.97 ± 1.08 D
Volume 470.16 Å 3
Surface Area 414.99 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-3-(1,3-benzodioxol-5-yl)-1-(5,7-dimethoxy-2,2-dimethyl-6-chromenyl)-3-hydroxyprop-2-en-1-one
  • (z)-3-(1,3-benzodioxol-5-yl)-1-(5,7-dimethoxy-2,2-dimethyl-chromen-6-yl)-3-hydroxy-prop-2-en-1-one
  • (z)-3-(1,3-benzodioxol-5-yl)-1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)-3-hydroxyprop-2-en-1-one
  • 2-propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-(5,7-dimethoxy-2,2-dimethyl-2h-1-bezopyran-6-yl)-3-hydroxy-, (z)-
  • pongapinone a
CAS Number(s)
  • 146713-95-3
InChIKey CHMQLCYFVBURMW-GDNBJRDFSA-N
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