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

Molecule SVG Image

Properties Simple | Detailed

Formula C6H9N2O4+
IUPAC Name amino 3-(5-oxoisoxazol-4-yl)propanoate
Molecular Mass 173.147 g·mol−1
Heat of Formation -364.4 ± 16.7 kJ·mol−1
Dipole Moment 4.35 ± 1.08 D
Volume 190.32 Å 3
Surface Area 193.93 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -0.82 ± 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
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N