(2E)-3-(3,4-Dihydroxyphenyl)-1-(2-Hydroxy-4-Methoxyphenyl)-2-Propen-1-One

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Properties Simple | Detailed

Formula C16H14O5
IUPAC Name (e)-3-(3,4-dihydroxyphenyl)-1-(2-hydroxy-4-methoxy-phenyl)prop-2-en-1-one
Molecular Mass 286.279 g·mol−1
Heat of Formation -637.3 ± 16.7 kJ·mol−1
Dipole Moment 6.22 ± 1.08 D
Volume 325.42 Å 3
Surface Area 307.79 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(3,4-dihydroxyphenyl)-1-(2-hydroxy-4-methoxy-phenyl)prop-2-en-1-one
  • (e)-3-(3,4-dihydroxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
  • 2-propen-1-one, 3-(3,4-dihydroxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)-, (e)-
  • 3-(3,4-dihydroxyphenyl)-1-(2-hydroxy-4-methoxy-phenyl)prop-2-en-1-one
  • 3-(3,4-dihydroxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
  • calythropsin
  • megxp0_000779
CAS Number(s)
  • 152340-67-5
InChIKey IULVGTQOZKYHCS-QHHAFSJGSA-N
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