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Methyl 4-(3-methoxy-3-oxoprop-1-en-1-yl)benzoate

  • CAS No. 20883-94-7

  • Cat. No. CS-0120771
  • Purity≥95%
  • MDL No.None

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

Methyl 4-(3-methoxy-3-oxoprop-1-en-1-yl)benzoate|CS-0120771

Structure of 20883-94-7

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General Information

  • CAS No. 20883-94-7
  • Cat. No. CS-0120771
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂O₄
  • Molecular Weight 220.22
  • Synonym(s) P-METHOXYCARBOXY-ZIMTSAEUREMETHYLESTER
  • SMILES O=C(OC)C1=CC=C(/C=C/C(OC)=O)C=C1

Synthesis

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    References

    • Corona-Sanchez, Ricardo; Toscano, Ruben A.; Ortega-Alfaro, M. Carmen; Sandoval-Chavez, Cesar; Lopez-Cortes, Jose G. Dalton Transactions, 2013 , vol. 42, # 33 p. 11992 - 12004
  • Route2
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    • Methyl 4-(3-methoxy-3-oxoprop-1-en-1-yl)benzoate|CS-0120771
      20883-94-7

    References

    • Heck,R.F. Journal of the American Chemical Society, 1968 , vol. 90, p. 5518 - 5526

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   1.6594
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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