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2-(5-Oxo-2-(p-tolyl)cyclopent-1-en-1-yl)acetic acid

  • CAS No. 78977-89-6

  • Cat. No. CS-0326391
  • Purity95+%
  • MDL No.None

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

2-(5-Oxo-2-(p-tolyl)cyclopent-1-en-1-yl)acetic acid|CS-0326391

Structure of 78977-89-6

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General Information

  • CAS No. 78977-89-6
  • Cat. No. CS-0326391
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₄O₃
  • Molecular Weight 230.26
  • Synonym(s) (5-Oxo-2-p-tolyl-cyclopent-1-enyl)-acetic acid
  • SMILES CC1=CC=C(C=C1)C2=C(CC(=O)O)C(=O)CC2

Synthesis

  • Route1
    • 4,7-Dioxo-7-(p-tolyl)heptanoic acid|CS-0331891
      522663-97-4
    • ~%
    • 2-(5-Oxo-2-(p-tolyl)cyclopent-1-en-1-yl)acetic acid|CS-0326391
      78977-89-6

    References

    • Turner Journal of the American Chemical Society, 1949 , vol. 71, p. 612,613

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   2.58622
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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