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CS-W001157 4
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3-Benzoyl-7-methoxy-2h-chromen-2-one

  • CAS No. 64267-12-5

  • Cat. No. CS-0259767
  • Purity95+%
  • MDL No.None

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

3-Benzoyl-7-methoxy-2h-chromen-2-one|CS-0259767

Structure of 64267-12-5

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General Information

  • CAS No. 64267-12-5
  • Cat. No. CS-0259767
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₁₂O₄
  • Molecular Weight 280.27
  • Synonym(s) 3-Benzoyl-7-methoxycoumarin
  • SMILES COC1=CC2=C(C=C1)C=C(C(=O)C3=CC=CC=C3)C(=O)O2

Synthesis

  • Route1

    References

    • SUN CHEMICAL CORPORATION; ROWATT, Brian; HERLIHY, Shaun; DAVIDSON, Robert Patent: WO2014/18826 A1, 2014 ; Location in patent: Page/Page column 16 ;
  • Route2

    References

    • Molecules, , vol. 18, # 5 p. 6057 - 6091
  • Route3

    References

    • Wang, Chao; Zhang, Hao; Xu, Fengrong; Niu, Yan; Wu, Yun; Wang, Xin; Peng, Yihong; Sun, Jing; Liang, Lei; Xu, Ping Molecules, 2013 , vol. 18, # 5 p. 6057 - 6091

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   56.51
  • LogP   3.0326
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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