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3-Methyl-4-oxo-4,5,6,7-tetrahydro-1h-indole-2-carboxylic acid

  • CAS No. 6577-89-5

  • Cat. No. CS-0223574
  • Purity≥95%
  • MDL No.MFCD06254716

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

3-Methyl-4-oxo-4,5,6,7-tetrahydro-1h-indole-2-carboxylic acid|CS-0223574

Structure of 6577-89-5

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General Information

  • CAS No. 6577-89-5
  • Cat. No. CS-0223574
  • Purity ≥95%
  • MDL No. MFCD06254716
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO₃
  • Molecular Weight None
  • Synonym(s) 4,5,6,7-Tetrahydro-3-methyl-4-oxo-indole-2-carboxylic-acid
  • SMILES CC1=C(C(=O)O)NC2=C1C(=O)CCC2

Synthesis

  • Route1
    • Ethyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1h-indole-2-carboxylate|CS-0222081
      7272-58-4
    • ~96%
    • In-stock
      3-Methyl-4-oxo-4,5,6,7-tetrahydro-1h-indole-2-carboxylic acid|CS-0223574
      6577-89-5

    References

    • Barraja, Paola; Diana, Patrizia; Montalbano, Alessandra; Carbone, Anna; Cirrincione, Girolamo; Viola, Giampietro; Salvador, Alessia; Vedaldi, Daniela; Dall'Acqua, Francesco Bioorganic and Medicinal Chemistry, 2008 , vol. 16, # 22 p. 9668 - 9683

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 : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   70.16
  • LogP   1.54032
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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