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CS-W001157 4
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1-(5-Methyl-1H-pyrrol-2-yl)ethan-1-one

  • CAS No. 6982-72-5

  • Cat. No. CS-0331315
  • Purity≥97%
  • MDL No.None

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

1-(5-Methyl-1H-pyrrol-2-yl)ethan-1-one|CS-0331315

Structure of 6982-72-5

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General Information

  • CAS No. 6982-72-5
  • Cat. No. CS-0331315
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉NO
  • Molecular Weight 123.15
  • Synonym(s) 1-(5-Methyl-1h-pyrrol-2-yl)ethanone
  • SMILES CC(C1=CC=C(C)N1)=O

Synthesis

  • Route1

    References

    • Albini, Angelo; Fasani, Elisa; Lohse, Christian Heterocycles, 1988 , vol. 27, # 1 p. 113 - 124
  • Route2

    References

    • Dennstedt; Lehne Chemische Berichte, 1889 , vol. 22, p. 1919 Show Details Ciamician; Silber Gazzetta Chimica Italiana, 1886 , vol. 16, p. 353 Chemische Berichte, 1886 , vol. 19, p. 1409
  • Route3

    References

    • Fischer; Goldschmidt; Nuessler Justus Liebigs Annalen der Chemie, 1931 , vol. 486, p. 33

Safety Information

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Computational Chemistry Data

  • TPSA   32.86
  • LogP   1.52572
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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