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1-Oxo-1,2-dihydroisoquinoline-3-carboxylic acid

  • CAS No. 7509-13-9

  • Cat. No. CS-0137853
  • Purity≥95%
  • MDL No.MFCD01845162

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

1-Oxo-1,2-dihydroisoquinoline-3-carboxylic acid|CS-0137853

Structure of 7509-13-9

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General Information

  • CAS No. 7509-13-9
  • Cat. No. CS-0137853
  • Purity ≥95%
  • MDL No. MFCD01845162
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇NO₃
  • Molecular Weight 189.17
  • Synonym(s) 1-OXO-1,2-DIHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
  • SMILES O=C(C1=CC2=C(C(N1)=O)C=CC=C2)O

Synthesis

  • Route1

    References

    • Dou, Dengfeng; Viwanathan, Prasanth; Li, Yi; He, Guijia; Alliston, Kevin R.; Lushington, Gerald H.; Brown-Clay, Joshua D.; Padmanabhan; Groutas, William C. Journal of Combinatorial Chemistry, 2010 , vol. 12, # 6 p. 836 - 843
  • Route2
    • 1-Oxo-1H-isochromene-3-carboxylic acid|CS-0464846
      2289-03-4
    • ~%
    • 1-Oxo-1,2-dihydroisoquinoline-3-carboxylic acid|CS-0137853
      7509-13-9

    References

    • TANABE SEIYAKU CO., LTD. Patent: WO2007/88999 A1, 2007 ; Location in patent: Page/Page column 147 ;

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   1.2263
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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