4-[3-(Aminooxy)-3-Oxopropyl]-1,2-Oxazol-5(2H)-One

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Properties Simple | Detailed

Formula C6H8N2O4
IUPAC Name amino 3-(5-oxo-2h-isoxazol-4-yl)propanoate
Molecular Mass 172.139 g·mol−1
Heat of Formation -349.4 ± 16.7 kJ·mol−1
Dipole Moment 7.34 ± 1.08 D
Volume 189.68 Å 3
Surface Area 193.9 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy 2.26 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(5-keto-2h-isoxazol-4-yl)propionic acid amino ester
  • 3-(5-oxo-2h-isoxazol-4-yl)propanoic acid amino ester
  • amino 3-(5-oxo-2h-1,2-oxazol-4-yl)propanoate
  • amino 3-(5-oxo-2h-isoxazol-4-yl)propanoate
  • beta-(isoxazolin-5-on-4-yl)alanine
CAS Number(s)
  • 127607-88-9
InChIKey JPZLPLPESYKICS-UHFFFAOYSA-N
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