2'-Methoxy-3,4,4'-Trihydroxychalcone

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Properties Simple | Detailed

Formula C16H14O5
IUPAC Name (e)-3-(3,4-dihydroxyphenyl)-1-(4-hydroxy-2-methoxy-phenyl)prop-2-en-1-one
Molecular Mass 286.279 g·mol−1
Heat of Formation -604.8 ± 16.7 kJ·mol−1
Dipole Moment 4.20 ± 1.08 D
Volume 328.95 Å 3
Surface Area 305.45 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(3,4-dihydroxyphenyl)-1-(4-hydroxy-2-methoxy-phenyl)prop-2-en-1-one
  • (e)-3-(3,4-dihydroxyphenyl)-1-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one
  • 2-propen-1-one, 3-(3,4-dihydroxyphenyl)-1-(4-hydroxy-2-methoxyphenyl)-, (e)-
  • sappanchalcone
CAS Number(s)
  • 94344-54-4
InChIKey JVGNTXGHBHMJDO-QHHAFSJGSA-N
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