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CS-W001157 4
Total: USD 88.00

4-(3-Hydroxymethylphenyl)benzoic acid

  • CAS No. 773872-85-8

  • Cat. No. CS-0207428
  • Purity≥98%
  • MDL No.MFCD06203071

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

4-(3-Hydroxymethylphenyl)benzoic acid|CS-0207428

Structure of 773872-85-8

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General Information

  • CAS No. 773872-85-8
  • Cat. No. CS-0207428
  • Purity ≥98%
  • MDL No. MFCD06203071
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₂O₃
  • Molecular Weight 228.24
  • Synonym(s) 3'-(Hydroxymethyl)-[1,1'-biphenyl]-4-carboxylic acid
  • SMILES C1=CC(=CC(=C1)C2=CC=C(C=C2)C(=O)O)CO

Synthesis

  • Route1

    References

    • Zhang, Penglie; Bao, Liang; Zuckett, Jingmei F.; Goldman, Erick A.; Jia, Zhaozhong J.; Arfsten, Ann; Edwards, Susan; Sinha, Uma; Hutchaleelaha, Athiwat; Park, Gary; Lambing, Joseph L.; Hollenbach, Stanley J.; Scarborough, Robert M.; Zhu, Bing-Yan Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 4 p. 983 - 987
  • Route2

    References

    • Petros, Andrew M.; Huth, Jeffrey R.; Oost, Thorsten; Park, Cheol-Min; Ding, Hong; Wang, Xilu; Zhang, Haichao; Nimmer, Paul; Mendoza, Renaldo; Sun, Chaohong; MacK, Jamey; Walter, Karl; Dorwin, Sarah; Gramling, Emily; Ladror, Uri; Rosenberg, Saul H.; Elmore, Steven W.; Fesik, Stephen W.; Hajduk, Philip J. Bioorganic and Medicinal Chemistry Letters, 2010 , vol. 20, # 22 p. 6587 - 6591

Safety Information

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Computational Chemistry Data

  • TPSA   57.53
  • LogP   2.5441
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   3

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