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CS-W001157 4
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3-Acetyl-1h-indole-5-carboxylic acid

  • CAS No. 444991-59-7

  • Cat. No. CS-0272102
  • Molecule weight203.19
  • Purity≥95%
  • MDL No.None

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

3-Acetyl-1h-indole-5-carboxylic acid|CS-0272102

Structure of 444991-59-7

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General Information

  • CAS No. 444991-59-7
  • Cat. No. CS-0272102
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉NO₃
  • Molecular Weight 203.19
  • Synonym(s) 3-ethanoyl-1H-indole-5-carboxylic acid
  • SMILES CC(=O)C1=CNC2=C1C=C(C=C2)C(=O)O

Synthesis

  • Route1
    • Methyl 3-acetyl-1H-indole-5-carboxylate|CS-0076422
      106896-59-7
    • ~99%
    • 3-Acetyl-1h-indole-5-carboxylic acid|CS-0272102
      444991-59-7

    References

    • Ludwig, Joachim; Bovens, Stefanie; Brauch, Carsten; Elfringhoff, Alwine Schulze; Lehr, Matthias Journal of Medicinal Chemistry, 2006 , vol. 49, # 8 p. 2611 - 2620
  • Route2

    References

    • Ludwig, Joachim; Bovens, Stefanie; Brauch, Carsten; Elfringhoff, Alwine Schulze; Lehr, Matthias Journal of Medicinal Chemistry, 2006 , vol. 49, # 8 p. 2611 - 2620

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

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Computational Chemistry Data

  • TPSA   70.16
  • LogP   2.0687
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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