Acivicin

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Properties Simple | Detailed

Formula C5H7ClN2O3
IUPAC Name (2s)-2-amino-2-[(5s)-3-chloro-4,5-dihydroisoxazol-5-yl]acetic acid
Molecular Mass 178.574 g·mol−1
Heat of Formation -363.8 ± 16.7 kJ·mol−1
Dipole Moment 3.16 ± 1.08 D
Volume 186.32 Å 3
Surface Area 185.13 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-2-[(5s)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
  • (2s)-2-amino-2-[(5s)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]ethanoic acid
  • (2s)-2-amino-2-[(5s)-3-chloro-4,5-dihydroisoxazol-5-yl]acetic acid
  • .alpha.-amino-3-chloro-4,5-dihydro-[s-(r*,r*)]-5-isoxazoleacetatic acid
  • 5-isoxazoleacetic acid, .alpha.-amino-3-chloro-4,5-dihydro-, [s-(r*,r*)]-
  • acia
  • acivicin (usan)
  • at-125
  • d02755
  • u-42126
CAS Number(s)
  • 42228-92-2
InChIKey QAWIHIJWNYOLBE-OKKQSCSOSA-N
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Elements H C N O Cl