Amino[(5S)-3-Chloro-4,5-Dihydro-1,2-Oxazol-5-Yl]Acetic Acid

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Properties Simple | Detailed

Formula C5H7ClN2O3
IUPAC Name (2r)-2-amino-2-[(5s)-3-chloro-4,5-dihydroisoxazol-5-yl]acetic acid
Molecular Mass 178.574 g·mol−1
Heat of Formation -365.9 ± 16.7 kJ·mol−1
Dipole Moment 3.19 ± 1.08 D
Volume 184.53 Å 3
Surface Area 179.59 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy 2.98 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-2-[(5s)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
  • (2r)-2-amino-2-[(5s)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]ethanoic acid
  • (2r)-2-amino-2-[(5s)-3-chloro-4,5-dihydroisoxazol-5-yl]acetic acid
InChIKey QAWIHIJWNYOLBE-ZAFYKAAXSA-N
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Elements H C N O Cl