2-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-Propenoyl]Amino}-5-Hydroxybenzoic Acid

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Properties Simple | Detailed

Formula C16H13NO6
IUPAC Name 2-[[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]-5-hydroxy-benzoic acid
Molecular Mass 315.278 g·mol−1
Heat of Formation -844.1 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 345.26 Å 3
Surface Area 326.06 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(e)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enyl]amino]-5-hydroxybenzoic acid
  • 2-[[(e)-3-(3,4-dihydroxyphenyl)acryloyl]amino]-5-hydroxy-benzoic acid
  • 2-[[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]-5-hydroxy-benzoic acid
  • 2-[[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]-5-hydroxybenzoic acid
InChIKey IDUUXROOZBOOPH-QHHAFSJGSA-N
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