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CS-W001157 4
Total: USD 88.00

1-Methyl-1H-indole-2-carboxylic acid

  • CAS No. 16136-58-6

  • Cat. No. CS-W007740
  • Purity≥98%
  • MDL No.MFCD00005801

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

1-Methyl-1H-indole-2-carboxylic acid|CS-W007740

Structure of 16136-58-6

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General Information

  • CAS No. 16136-58-6
  • Cat. No. CS-W007740
  • Purity ≥98%
  • MDL No. MFCD00005801
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₂
  • Molecular Weight 175.18
  • Synonym(s) 5-22-03-00015 (Beilstein Handbook Reference)
  • SMILES C1=CC=CC2=C1[N](C)C(=C2)C(O)=O

Synthesis

  • Route1

    References

    • Jacquemard, Ulrich; Beneteau, Valerie; Lefoix, Myriam; Routier, Sylvain; Merour, Jean-Yves; Coudert, Gerard Tetrahedron, 2004 , vol. 60, # 44 p. 10039 - 10047
  • Route2

    References

    • Nazare, Marc; Schneider, Claudia; Lindenschmidt, Andreas; Will, David William Angewandte Chemie - International Edition, 2004 , vol. 43, # 34 p. 4526 - 4528
  • Route3

    References

    • Font, M.; Monge, A.; Cuartero, A.; Ellorriaga, A.; Martinez-Irujo, J.J.; et al. European Journal of Medicinal Chemistry, 1995 , vol. 30, # 12 p. 963 - 972

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   42.23
  • LogP   1.8765
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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