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CS-W001157 4
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Methyl 5-acetyl-2-methoxybenzoate

  • CAS No. 39971-36-3

  • Cat. No. CS-0195944
  • Molecule weight208.21
  • Purity95+%
  • MDL No.None

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

Methyl 5-acetyl-2-methoxybenzoate|CS-0195944

Structure of 39971-36-3

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General Information

  • CAS No. 39971-36-3
  • Cat. No. CS-0195944
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₄
  • Molecular Weight 208.21
  • Synonym(s) Benzoic acid, 5-acetyl-2-methoxy-, methyl ester
  • SMILES CC(=O)C1=CC(=C(C=C1)OC)C(=O)OC

Synthesis

  • Route1

    References

    • Institute of Medicinal Molecular Design, Inc. Patent: EP1510207 A1, 2005 ; Location in patent: Page/Page column 131 ; EP 1510207 A1 Title/Abstract Full Text Show Details Institute of Medicinal Molecular Design, Inc. Patent: EP1510210 A1, 2005 ; Location in patent: Page/Page column 131 ;
  • Route2

    References

    • Sharma, Shalini; von Borstel, Reid W. Patent: US2003/149107 A1, 2003 ;
  • Route3

    References

    • The Upjohn Company Patent: US5502187 A1, 1996 ;

Safety Information

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   1.6844
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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