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CS-W001157 4
Total: USD 88.00

5-Cyano-1H-indole-2-carboxylic acid

  • CAS No. 169463-44-9

  • Cat. No. CS-0050504
  • Molecule weight186.17
  • Purity≥97%
  • MDL No.None

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

5-Cyano-1H-indole-2-carboxylic acid|CS-0050504

Structure of 169463-44-9

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General Information

  • CAS No. 169463-44-9
  • Cat. No. CS-0050504
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₆N₂O₂
  • Molecular Weight 186.17
  • Synonym(s) 5-Cyan-indol-2-carbonsaeure
  • SMILES OC(=O)C1=CC2=CC(=CC=C2N1)C#N

Synthesis

  • Route1

    References

    • Pfizer, Inc. Patent: US6107329 A1, 2000 ;
  • Route2

    References

    • Robertson, William M.; Kastrinsky, David B.; Hwang, Inkyu; Boger, Dale L. Bioorganic and Medicinal Chemistry Letters, 2010 , vol. 20, # 9 p. 2722 - 2725
  • Route3

    References

    • Lindwall; Mantell Journal of Organic Chemistry, 1953 , vol. 18, p. 345,356

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   76.88
  • LogP   1.73778
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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