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CS-W001157 4
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4-(3-Methoxy-3-oxoprop-1-en-1-yl)benzoic acid

  • CAS No. 160648-26-0

  • Cat. No. CS-0120774
  • Molecule weight206.19
  • Purity≥95%
  • MDL No.MFCD13659447

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

4-(3-Methoxy-3-oxoprop-1-en-1-yl)benzoic acid|CS-0120774

Structure of 160648-26-0

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General Information

  • CAS No. 160648-26-0
  • Cat. No. CS-0120774
  • Purity ≥95%
  • MDL No. MFCD13659447
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀O₄
  • Molecular Weight 206.19
  • Synonym(s) 4-(3-Methoxy-3-oxoprop-1-enyl)benzoic Acid
  • SMILES O=C(O)C1=CC=C(/C=C/C(OC)=O)C=C1

Synthesis

  • Route1
    • null|null
      292638-85-8
    • 4-Chlorobenzoic acid Bezafibrate Impurity|CS-0229800
      74-11-3
    • ~92%
    • 4-(3-Methoxy-3-oxoprop-1-en-1-yl)benzoic acid|CS-0120774
      160648-26-0

    References

    • Amini, Mostafa M.; Feiz, Afsaneh; Dabiri, Minoo; Bazgir, Ayoob Applied Organometallic Chemistry, 2014 , vol. 28, # 2 p. 86 - 90
  • Route2

    References

    • Aventis Pharma Deutschland GmbH; Genentech, Inc. Patent: EP1197488 A1, 2002 ; Location in patent: Page 10 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   1.571
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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