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CS-W001157 4
Total: USD 88.00

5-(3-Nitrophenoxy)pentanoic acid

  • CAS No. 87411-43-6

  • Cat. No. CS-0588779
  • Molecule weight239.22
  • Purity≥98%
  • MDL No.None

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

5-(3-Nitrophenoxy)pentanoic acid|CS-0588779

Structure of 87411-43-6

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General Information

  • CAS No. 87411-43-6
  • Cat. No. CS-0588779
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO₅
  • Molecular Weight 239.22
  • Synonym(s) Pentanoic acid,5-(3-nitrophenoxy)
  • SMILES C1=CC(=CC(=C1)OCCCCC(=O)O)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      1111235-07-4
    • ~%
    • 5-(3-Nitrophenoxy)pentanoic acid|CS-0588779
      87411-43-6

    References

    • Zhang, Xuan; Bao, Bin; Yu, Xiuhua; Tong, Linjiang; Luo, Yu; Huang, Qingqing; Su, Mingbo; Sheng, Li; Li, Jia; Zhu, Hong; Yang, Bo; Zhang, Xiongwen; Chen, Yi; Lu, Wei Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 22 p. 6981 - 6995
  • Route2

    References

    • Zhang, Xuan; Bao, Bin; Yu, Xiuhua; Tong, Linjiang; Luo, Yu; Huang, Qingqing; Su, Mingbo; Sheng, Li; Li, Jia; Zhu, Hong; Yang, Bo; Zhang, Xiongwen; Chen, Yi; Lu, Wei Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 22 p. 6981 - 6995
  • Route3

    References

    • Zhang, Xuan; Bao, Bin; Yu, Xiuhua; Tong, Linjiang; Luo, Yu; Huang, Qingqing; Su, Mingbo; Sheng, Li; Li, Jia; Zhu, Hong; Yang, Bo; Zhang, Xiongwen; Chen, Yi; Lu, Wei Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 22 p. 6981 - 6995

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   89.67
  • LogP   2.2285
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   7

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