Caftaric Acid

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Properties Simple | Detailed

Formula C13H12O9
IUPAC Name (2r,3r)-2-[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxy-butanedioic acid
Molecular Mass 312.229 g·mol−1
Heat of Formation -1476.7 ± 16.7 kJ·mol−1
Dipole Moment 3.10 ± 1.08 D
Volume 335.54 Å 3
Surface Area 310.23 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r)-2-[(e)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-3-hydroxybutanedioic acid
  • (2r,3r)-2-[(e)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-3-hydroxy-succinic acid
  • (2r,3r)-2-[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxy-butanedioic acid
  • (2r,3r)-2-[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid
  • butanedioic acid, 2-(3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)-3-hydroxy-, (r-(r*,r*-(e)))-
CAS Number(s)
  • 67879-58-7
  • 72880-50-3
InChIKey SWGKAHCIOQPKFW-JTNORFRNSA-N
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