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CS-W001157 4
Total: USD 88.00

2-(Carboxycarbonyl)benzoic acid

  • CAS No. 528-46-1

  • Cat. No. CS-0322976
  • Purity95+%
  • MDL No.None

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

2-(Carboxycarbonyl)benzoic acid|CS-0322976

Structure of 528-46-1

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General Information

  • CAS No. 528-46-1
  • Cat. No. CS-0322976
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆O₅
  • Molecular Weight 194.14
  • Synonym(s) 2-oxalobenzoic acid
  • SMILES C1=CC=C(C(=C1)C(=O)C(=O)O)C(=O)O

Synthesis

  • Route1
    • null|null
      91-20-3
    • ~33%
    • 2-(Carboxycarbonyl)benzoic acid|CS-0322976
      528-46-1

    References

    • Liu, Zijian; Wang, Rui; Guo, Ruiming; Hu, Jinxing; Li, Ruijuan; Zhao, Yanfang; Gong, Ping Bioorganic and Medicinal Chemistry, 2014 , vol. 22, # 14 p. 3642 - 3653
  • Route2

    References

    • Kashimura, Tsugunori,; Kudo, Kiyoshi; Mori, Sadayuki; Sugita, Nobuyuki Chemistry Letters, 1986 , p. 483 - 486
  • Route3

    References

    • Kashimura, Tsugunori,; Kudo, Kiyoshi; Mori, Sadayuki; Sugita, Nobuyuki Chemistry Letters, 1986 , p. 483 - 486

Safety Information

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GHS Pictogram : N/A
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UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   91.67
  • LogP   0.6521
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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