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CS-W001157 4
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1-(2,4,6-Trimethoxyphenyl)prop-2-yn-1-ol

  • CAS No. 61040-72-0

  • Cat. No. CS-0552076
  • Purity≥98%
  • MDL No.None

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

1-(2,4,6-Trimethoxyphenyl)prop-2-yn-1-ol|CS-0552076

Structure of 61040-72-0

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General Information

  • CAS No. 61040-72-0
  • Cat. No. CS-0552076
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄O₄
  • Molecular Weight 222.24
  • Synonym(s) 1-(2,4,6-TRIMETHOXY-PHENYL)-PROP-2-YN-1-OL
  • SMILES COC1=CC(=C(C(=C1)OC)C(C#C)O)OC

Synthesis

  • Route1

    References

    • Reddy, M. V. Ramana; Akula, Balaiah; Cosenza, Stephen C.; Lee, Clement M.; Mallireddigari, Muralidhar R.; Pallela, Venkat R.; Subbaiah, D. R. C. Venkata; Udofa, Andrew; Reddy, E. Premkumar Journal of Medicinal Chemistry, 2012 , vol. 55, # 11 p. 5174 - 5187
  • Route2

    References

    • Midgley,J.M. et al. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1976 , p. 1384 - 1385

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   47.92
  • LogP   1.379
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   4

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