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CS-W001157 4
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3-(3-Phenoxyphenyl)propanoic acid

  • CAS No. 52888-70-7

  • Cat. No. CS-0434693
  • Purity≥95%
  • MDL No.MFCD06823981

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

3-(3-Phenoxyphenyl)propanoic acid|CS-0434693

Structure of 52888-70-7

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General Information

  • CAS No. 52888-70-7
  • Cat. No. CS-0434693
  • Purity ≥95%
  • MDL No. MFCD06823981
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₄O₃
  • Molecular Weight 242.27
  • Synonym(s) 3-Phenoxy-benzenepropanoic acid
  • SMILES O=C(O)CCC1=CC=CC(OC2=CC=CC=C2)=C1

Synthesis

  • Route1

    References

    • EMISPHERE TECHNOLOGIES, INC. Patent: WO2008/112368 A2, 2008 ; Location in patent: Page/Page column 34 ;
  • Route2

    References

    • Adams, Jerry L.; Garigipati, Ravi S.; Sorenson, Margaret; Schmidt, Stanley J.; Brian, William R.; Newton, John F.; Tyrrell, Kathy A.; Garver, Eric; Yodis, Lee A.; Chabot-Fletcher, Marie; Tzimas, Maritsa; Webb, Edward F.; Breton, John J.; Griswold, Don E. Journal of Medicinal Chemistry, 1996 , vol. 39, # 26 p. 5035 - 5046
  • Route3
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    • 3-(3-Phenoxyphenyl)propanoic acid|CS-0434693
      52888-70-7

    References

    • Adams, Jerry L.; Garigipati, Ravi S.; Sorenson, Margaret; Schmidt, Stanley J.; Brian, William R.; Newton, John F.; Tyrrell, Kathy A.; Garver, Eric; Yodis, Lee A.; Chabot-Fletcher, Marie; Tzimas, Maritsa; Webb, Edward F.; Breton, John J.; Griswold, Don E. Journal of Medicinal Chemistry, 1996 , vol. 39, # 26 p. 5035 - 5046

Safety Information

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Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   3.4961
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   5

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