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CS-W001157 4
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5-Acetyl-2-methoxybenzoic acid

  • CAS No. 68535-61-5

  • Cat. No. CS-0195945
  • Molecule weight194.18
  • Purity≥98%
  • MDL No.None

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

5-Acetyl-2-methoxybenzoic acid|CS-0195945

Structure of 68535-61-5

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General Information

  • CAS No. 68535-61-5
  • Cat. No. CS-0195945
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₄
  • Molecular Weight 194.18
  • Synonym(s) 2-Methoxy-5-acetylbenzoic acid
  • SMILES CC(=O)C1=CC(=C(C=C1)OC)C(=O)O

Synthesis

  • Route1
    • Methyl 5-acetyl-2-methoxybenzoate|CS-0195944
      39971-36-3
    • ~%
    • 5-Acetyl-2-methoxybenzoic acid|CS-0195945
      68535-61-5

    References

    • Sharma, Shalini; von Borstel, Reid W. Patent: US2003/149107 A1, 2003 ;
  • Route2

    References

    • v. Krannichfeldt Chemische Berichte, 1914 , vol. 47, p. 157
  • Route3
    • 5-Acetyl-2-methoxybenzaldehyd|CS-0196281
      531-99-7
    • null|null
      7732-18-5
    • ~%
    • 5-Acetyl-2-methoxybenzoic acid|CS-0195945
      68535-61-5

    References

    • Gray; Bonner Journal of the American Chemical Society, 1948 , vol. 70, p. 1249,1250

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
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   63.6
  • LogP   1.596
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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