(2S,3S)-2-(1,3-Benzodioxol-5-Ylmethyl)-3-Benzylsuccinic Acid

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Properties Simple | Detailed

Formula C19H18O6
IUPAC Name (2s,3s)-2-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-butanedioic acid
Molecular Mass 342.343 g·mol−1
Heat of Formation -887.7 ± 16.7 kJ·mol−1
Dipole Moment 1.11 ± 1.08 D
Volume 395.74 Å 3
Surface Area 337.9 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 2.82 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-2-(1,3-benzodioxol-5-ylmethyl)-3-(benzyl)succinic acid
  • (2s,3s)-2-(1,3-benzodioxol-5-ylmethyl)-3-(phenylmethyl)butanedioic acid
  • 2-benzo[1,3]dioxol-5-ylmethyl-3-benzyl-succinic acid
  • bys
InChIKey ASEJDWRSZYAIOT-GJZGRUSLSA-N
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