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2-Hydroxy-1-(3-nitrophenyl)ethan-1-one

  • CAS No. 72802-41-6

  • Cat. No. CS-0322534
  • Molecule weight181.15
  • Purity95+%
  • MDL No.None

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

2-Hydroxy-1-(3-nitrophenyl)ethan-1-one|CS-0322534

Structure of 72802-41-6

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General Information

  • CAS No. 72802-41-6
  • Cat. No. CS-0322534
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₄
  • Molecular Weight 181.15
  • Synonym(s) 2-Hydroxy-1-(3-nitrophenyl)-1-ethanone
  • SMILES C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CO

Synthesis

  • Route1

    References

    • Wei, Zhi-Liang; Lin, Guo-Qiang; Li, Zu-Yi Bioorganic and Medicinal Chemistry, 2000 , vol. 8, # 5 p. 1129 - 1137
  • Route2

    References

    • Chen, Chengqun; Feng, Xinghua; Zhang, Guozhen; Zhao, Qin; Huang, Guosheng Synthesis, 2008 , # 20 p. 3205 - 3208
  • Route3
    • null|null
      90945-65-6
    • ~%
    • 2-Hydroxy-1-(3-nitrophenyl)ethan-1-one|CS-0322534
      72802-41-6

    References

    • Journal of the American Chemical Society, , vol. 30, p. 406

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   80.44
  • LogP   0.7698
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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