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CS-W001157 4
Total: USD 88.00

3-(3-Methoxycarbonylphenyl)benzoic acid

  • CAS No. 893736-81-7

  • Cat. No. CS-0208148
  • Purity≥97%
  • MDL No.MFCD06802576

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

3-(3-Methoxycarbonylphenyl)benzoic acid|CS-0208148

Structure of 893736-81-7

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General Information

  • CAS No. 893736-81-7
  • Cat. No. CS-0208148
  • Purity ≥97%
  • MDL No. MFCD06802576
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₂O₄
  • Molecular Weight 256.25
  • Synonym(s) Methyl 3-(3-carboxyphenyl)benzoate
  • SMILES COC(=O)C1=CC=CC(=C1)C2=CC(=CC=C2)C(=O)O

Synthesis

  • Route1

    References

    • BRISTOL-MYERS SQUIBB COMPANY Patent: WO2009/15166 A1, 2009 ; Location in patent: Page/Page column 90-91 ; WO 2009/015166 A1
  • Route2

    References

    • MERCK and CO., INC. Patent: WO2009/45385 A1, 2009 ; Location in patent: Page/Page column 50-51 ; WO 2009/045385 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   2.8384
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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