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

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Properties Simple | Detailed

Formula C13H12O8
IUPAC Name (2s)-2-[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxybutanedioic acid
Molecular Mass 296.230 g·mol−1
Heat of Formation -1318.8 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 321.65 Å 3
Surface Area 305.26 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[(e)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]butanedioic acid
  • (2s)-2-[(e)-3-(3,4-dihydroxyphenyl)acryloyl]oxysuccinic acid
  • (2s)-2-[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxybutanedioic acid
  • phaseolic acid
CAS Number(s)
  • 53755-04-7
InChIKey PMKQSEYPLQIEAY-YWNRKNDBSA-N
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