Licochalcone B

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Properties Simple | Detailed

Formula C16H14O5
IUPAC Name (e)-3-(3,4-dihydroxy-2-methoxy-phenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
Molecular Mass 286.279 g·mol−1
Heat of Formation -596.4 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 331.08 Å 3
Surface Area 305.15 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(3,4-dihydroxy-2-methoxy-phenyl)-1-(4-hydroxy-phenyl)-propenone
  • (e)-3-(3,4-dihydroxy-2-methoxy-phenyl)-1-(4-hydroxy-phenyl)propenone
  • (e)-3-(3,4-dihydroxy-2-methoxy-phenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
  • (e)-3-(3,4-dihydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
  • 3-(3,4-dihydroxy-2-methoxy-phenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
  • 3-(3,4-dihydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
CAS Number(s)
  • 58749-23-8
InChIKey DRDRYGIIYOPBBZ-XBXARRHUSA-N
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