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CS-W001157 4
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3-(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoic acid

  • CAS No. 89446-98-0

  • Cat. No. CS-0319192
  • Purity≥98%
  • MDL No.None

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

3-(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoic acid|CS-0319192

Structure of 89446-98-0

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General Information

  • CAS No. 89446-98-0
  • Cat. No. CS-0319192
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₃NO₄
  • Molecular Weight 271.27
  • Synonym(s) 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoic acid
  • SMILES C1=CCC2C(C1)C(=O)N(C3=CC=CC(=C3)C(=O)O)C2=O

Synthesis

  • Route1

    References

    • Aly, N. F.; Fahmy, A. M. F.; Aly, N. Y. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 9 p. 912 - 913
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    References

    • Aly, N. F.; Fahmy, A. M. F.; Aly, N. Y. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 9 p. 912 - 913

Safety Information

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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   74.68
  • LogP   1.8404
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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