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CS-W001157 4
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3-(7-Hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoic acid

  • CAS No. 5852-06-2

  • Cat. No. CS-0312830
  • Purity≥98%
  • MDL No.None

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

3-(7-Hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoic acid|CS-0312830

Structure of 5852-06-2

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General Information

  • CAS No. 5852-06-2
  • Cat. No. CS-0312830
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₂O₅
  • Molecular Weight 248.23
  • Synonym(s) 3-(7-Hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-propionic acid
  • SMILES CC1=C(CCC(=O)O)C(=O)OC2=C1C=CC(=C2)O

Synthesis

  • Route1
    • null|null
      936739-45-6
    • ~74%
    • 3-(7-Hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoic acid|CS-0312830
      5852-06-2

    References

    • Avetisyan; Alvandzhyan Russian Journal of Organic Chemistry, 2006 , vol. 42, # 7 p. 1063 - 1067
  • Route2
    • Diethyl 2-acetylglutarate|CS-0074515
      1501-06-0
    • null|null
      108-46-3
    • ~%
    • 3-(7-Hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoic acid|CS-0312830
      5852-06-2
    • Ethyl 3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoate|CS-1138983
      5969-19-7

    References

    • Shah; Shah Chemische Berichte, 1938 , vol. 71, p. 2075,2079 Chemische Berichte, 1939 , vol. 72, p. 215
  • Route3
    • Ethyl 3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoate|CS-1138983
      5969-19-7
    • ~%
    • 3-(7-Hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoic acid|CS-0312830
      5852-06-2

    References

    • Shah; Shah Chemische Berichte, 1938 , vol. 71, p. 2075,2079 Chemische Berichte, 1939 , vol. 72, p. 215

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   87.74
  • LogP   1.82422
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   3

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