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CS-W001157 4
Total: USD 88.00

M3-1

  • CAS No. 162050-42-2

  • Cat. No. CS-0031195
  • Purity≥98%
  • MDL No.None

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

M3-1|CS-0031195

Structure of 162050-42-2

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General Information

  • CAS No. 162050-42-2
  • Cat. No. CS-0031195
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄O₃
  • Molecular Weight 206.24
  • Synonym(s) 1(3H)-Isobenzofuranone, 3-butyl-3-hydroxy-
  • SMILES O=C1OC(CCCC)(O)C2=C1C=CC=C2

Synthesis

  • Route1
    • null|null
      85-44-9
    • null|null
      3431-67-2
    • ~%
    • M3-1|CS-0031195
      162050-42-2

    References

    • Yang, Hua; Hu, Gao-Yun; Chen, Jun; Wang, Yi; Wang, Zhong-Hua Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 18 p. 5210 - 5213

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

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   2.1923
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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