(2S,3S)-2-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-Propenoyl]Oxy}-3-Hydroxysuccinic Acid

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Properties Simple | Detailed

Formula C13H12O9
IUPAC Name (2s,3s)-2-[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxy-butanedioic acid
Molecular Mass 312.229 g·mol−1
Heat of Formation -1476.5 ± 16.7 kJ·mol−1
Dipole Moment 4.03 ± 1.08 D
Volume 336.07 Å 3
Surface Area 310.99 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-2-[(e)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-3-hydroxybutanedioic acid
  • (2s,3s)-2-[(e)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-3-hydroxy-succinic acid
  • (2s,3s)-2-[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxy-butanedioic acid
  • (2s,3s)-2-[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid
  • 2-hydroxy-3-[3,4-dihydroxy-phenyl)-acryloyloxy]-succinic acid
  • 2-o-caffeoyl tartaric acid
  • 2-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-hydroxysuccinic acid
  • butanedioic acid, 2-[[(2e)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3-hydroxy-
InChIKey SWGKAHCIOQPKFW-LOMYTOQZSA-N
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