5-Hydroxy-2-{[(2E)-3-(4-Hydroxyphenyl)-2-Propenoyl]Amino}Benzoic Acid

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Formula C16H13NO5
IUPAC Name 5-hydroxy-2-[[(e)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid
Molecular Mass 299.278 g·mol−1
Heat of Formation -665.1 ± 16.7 kJ·mol−1
Dipole Moment 2.07 ± 1.08 D
Volume 336.01 Å 3
Surface Area 317.14 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • 5-hydroxy-2-[3-(4-hydroxyphenyl)prop-2-enoylamino]benzoic acid
  • 5-hydroxy-2-[[(e)-3-(4-hydroxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid
  • 5-hydroxy-2-[[(e)-3-(4-hydroxyphenyl)acryloyl]amino]benzoic acid
  • 5-hydroxy-2-[[(e)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid
  • 5-hydroxy-2-[[3-(4-hydroxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid
  • 5-hydroxy-2-[[3-(4-hydroxyphenyl)acryloyl]amino]benzoic acid
  • avenanthramide a
CAS Number(s)
  • 108605-70-5
InChIKey QGUMNWHANDITDB-FPYGCLRLSA-N
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