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CS-W001157 4
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3-((1,3-Dioxoisoindolin-2-yl)methyl)benzoic acid

  • CAS No. 106352-01-6

  • Cat. No. CS-0156008
  • Purity≥97%
  • MDL No.None

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

3-((1,3-Dioxoisoindolin-2-yl)methyl)benzoic acid|CS-0156008

Structure of 106352-01-6

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General Information

  • CAS No. 106352-01-6
  • Cat. No. CS-0156008
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₁NO₄
  • Molecular Weight 281.26
  • Synonym(s) 3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid
  • SMILES C1=CC=C2C(=C1)C(=O)N(CC3=CC(=CC=C3)C(=O)O)C2=O

Synthesis

  • Route1

    References

    • Smythe; Von Itzstein Journal of the American Chemical Society, 1994 , vol. 116, # 7 p. 2725 - 2733
  • Route2
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      136918-14-4
    • ~%
    • In-stock
      3-((1,3-Dioxoisoindolin-2-yl)methyl)benzoic acid|CS-0156008
      106352-01-6

    References

    • Pandey; Gupta; Upadhyay, Mrinalini; Upadhyay, Mridula; Singh; Tandon, Meenal Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2005 , vol. 44, # 1 p. 158 - 162

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

Quality Control

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Computational Chemistry Data

  • TPSA   74.68
  • LogP   2.181
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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