N-[(1E)-3-Oxo-1-Propen-1-Yl]-L-Serine

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Properties Simple | Detailed

Formula C6H9NO4
IUPAC Name (2s)-3-hydroxy-2-[[(e)-3-oxoprop-1-enyl]amino]propanoic acid
Molecular Mass 159.140 g·mol−1
Heat of Formation -624.5 ± 16.7 kJ·mol−1
Dipole Moment 7.33 ± 1.08 D
Volume 187.54 Å 3
Surface Area 190.85 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-hydroxy-2-[[(e)-3-ketoprop-1-enyl]amino]propionic acid
  • (2s)-3-hydroxy-2-[[(e)-3-oxoprop-1-enyl]amino]propanoic acid
  • l-serine, n-(3-oxo-1-propenyl)-
  • n-(2-propenal)serine
CAS Number(s)
  • 119206-60-9
InChIKey ZQCKKBHLJIDYRB-WYPBCBNTSA-N
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