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Methyl 2-(5-oxo-4,5-dihydroisoxazol-3-yl)acetate

  • CAS No. 96530-57-3

  • Cat. No. CS-0061882
  • Molecule weight157.12
  • Purity≥97%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

Methyl 2-(5-oxo-4,5-dihydroisoxazol-3-yl)acetate|CS-0061882

Structure of 96530-57-3

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General Information

  • CAS No. 96530-57-3
  • Cat. No. CS-0061882
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇NO₄
  • Molecular Weight 157.12
  • Synonym(s) 3-Isoxazoleaceticacid,4,5-dihydro-5-oxo-,methylester(9CI)
  • SMILES COC(=O)CC1=NOC(=O)C1

Synthesis

  • Route1

    References

    • Kim, C. K.; Krasavage, B. A.; Maggiulli, C. A. Journal of Heterocyclic Chemistry, 1985 , vol. 22, p. 127 - 128

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   64.96
  • LogP   -0.1476
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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