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CS-W001157 4
Total: USD 88.00

4-(Isoxazol-5-yl)benzoic acid

  • CAS No. 874778-87-7

  • Cat. No. CS-0456636
  • Purity≥98%
  • MDL No.MFCD03407783

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

4-(Isoxazol-5-yl)benzoic acid|CS-0456636

Structure of 874778-87-7

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General Information

  • CAS No. 874778-87-7
  • Cat. No. CS-0456636
  • Purity ≥98%
  • MDL No. MFCD03407783
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇NO₃
  • Molecular Weight 189.17
  • Synonym(s) 4-Isoxazol-5-yl-benzoic acid
  • SMILES C1=C(C=CC(=C1)C(=O)O)C2=CC=NO2

Synthesis

  • Route1

    References

    • Tong, Yunsong; Bouska, Jennifer J.; Ellis, Paul A.; Johnson, Eric F.; Leverson, Joel; Liu, Xuesong; Marcotte, Patrick A.; Olson, Amanda M.; Osterling, Donald J.; Przytulinska, Magdalena; Rodriguez, Luis E.; Shi, Yan; Soni, Nirupama; Stavropoulos, Jason; Thomas, Sheela; Donawho, Cherrie K.; Frost, David J.; Luo, Yan; Giranda, Vincent L.; Penning, Thomas D. Journal of Medicinal Chemistry, 2009 , vol. 52, # 21 p. 6803 - 6813

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   63.33
  • LogP   2.0398
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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