(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-Dihydro-2H-Chromen-3-Yl Decanoate

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Formula C25H32O5
IUPAC Name [(2r,3s)-2-(3,4-dihydroxyphenyl)chroman-3-yl] decanoate
Molecular Mass 412.519 g·mol−1
Heat of Formation -918.0 ± 16.7 kJ·mol−1
Dipole Moment 3.78 ± 1.08 D
Volume 527.52 Å 3
Surface Area 421.39 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s)-2-(3,4-dihydroxyphenyl)chroman-3-yl] decanoate
  • capric acid [(2r,3s)-2-(3,4-dihydroxyphenyl)chroman-3-yl] ester
  • decanoic acid [(2r,3s)-2-(3,4-dihydroxyphenyl)-3-chromanyl] ester
CAS Number(s)
  • 104748-85-8
InChIKey HWJYOGRROZBGGH-UKILVPOCSA-N
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