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CS-W001157 4
Total: USD 88.00

4-Cyano-2-methoxybenzoic acid

  • CAS No. 89469-52-3

  • Cat. No. CS-W022170
  • Purity≥98%
  • MDL No.MFCD11520909

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

4-Cyano-2-methoxybenzoic acid|CS-W022170

Structure of 89469-52-3

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General Information

  • CAS No. 89469-52-3
  • Cat. No. CS-W022170
  • Purity ≥98%
  • MDL No. MFCD11520909
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₃
  • Molecular Weight None
  • Synonym(s) None
  • SMILES COC1=C(C=CC(=C1)C#N)C(O)=O

Synthesis

  • Route1

    References

    • Yea, Christopher M.; Allan, Christine E.; Ashworth, Doreen M.; Barnett, James; Baxter, Andy J.; Broadbridge, Janice D.; Franklin, Richard J.; Hampton, Sally L.; Hudson, Peter; Horton, John A.; Jenkins, Paul D.; Penson, Andy M.; Pitt, Gary R. W.; Riviere, Pierre; Robson, Peter A.; Rooker, David P.; Semple, Graeme; Sheppard, Andy; Haigh, Robert M.; Roe, Michael B. Journal of Medicinal Chemistry, 2008 , vol. 51, # 24 p. 8124 - 8134
  • Route2
    • In-stock
      4-Amino-2-methoxybenzoic acid|CS-0150538
      2486-80-8
    • null|null
      544-92-3
    • ~%
    • In-stock
      4-Cyano-2-methoxybenzoic acid|CS-W022170
      89469-52-3

    References

    • Barraclough; Iyer; Lindon; Williams Tetrahedron Letters, 1986 , vol. 27, # 49 p. 5997 - 6000

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P341-P312-P330-P363-P501

Quality Control

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Computational Chemistry Data

  • TPSA   70.32
  • LogP   1.26508
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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