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CS-W001157 4
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3-Acetyl-7-methoxy-2H-1-benzopyran-2-one

  • CAS No. 64267-19-2

  • Cat. No. CS-0212903
  • Purity≥96%
  • MDL No.MFCD01241792

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

3-Acetyl-7-methoxy-2H-1-benzopyran-2-one|CS-0212903

Structure of 64267-19-2

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General Information

  • CAS No. 64267-19-2
  • Cat. No. CS-0212903
  • Purity ≥96%
  • MDL No. MFCD01241792
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₀O₄
  • Molecular Weight 218.21
  • Synonym(s) 3-acetyl-7-methoxy-2H-chromen-2-one
  • SMILES CC(=O)C1=CC2=C(C=C(C=C2)OC)OC1=O

Synthesis

  • Route1

    References

    • Kumar, B Vinay; Naik, Halehatty S. Bhojya; Girija; Kumar, B Vijaya Journal of Chemical Sciences, 2011 , vol. 123, # 5 p. 615 - 621
  • Route2

    References

    • Bag, Seema; Ghosh, Sanjukta; Tulsan, Rekha; Sood, Abha; Zhou, Weihong; Schifone, Christine; Foster, Michelle; Levine III, Harry; Toeroek, Bela; Toeroek, Marianna Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 9 p. 2614 - 2618
  • Route3

    References

    • Secci, Daniela; Carradori, Simone; Bolasco, Adriana; Chimenti, Paola; Yanez, Matilde; Ortuso, Francesco; Alcaro, Stefano European Journal of Medicinal Chemistry, 2011 , vol. 46, # 10 p. 4846 - 4852

Safety Information

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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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   56.51
  • LogP   2.0042
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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