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2-(5-Formyl-2,4-dimethyl-1H-pyrrol-3-yl)aceticacid

  • CAS No. 52513-48-1

  • Cat. No. CS-0172062
  • Molecule weight181.19
  • Purity≥97%
  • MDL No.None

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

2-(5-Formyl-2,4-dimethyl-1H-pyrrol-3-yl)aceticacid|CS-0172062

Structure of 52513-48-1

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General Information

  • CAS No. 52513-48-1
  • Cat. No. CS-0172062
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁NO₃
  • Molecular Weight 181.19
  • Synonym(s) 2-(5-Formyl-2,4-dimethyl-1H-pyrrol-3-YL)acetic acid
  • SMILES CC1=C(C=O)NC(=C1CC(=O)O)C

Synthesis

  • Route1
    • null|null
      40345-44-6
    • null|null
      68-12-2
    • ~96%
    • 2-(5-Formyl-2,4-dimethyl-1H-pyrrol-3-yl)aceticacid|CS-0172062
      52513-48-1

    References

    • SUGEN Inc. Patent: US2004/204407 A1, 2004 ; Location in patent: Page/Page column 18 ; US 20040204407 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   70.16
  • LogP   1.07114
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   3

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