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2-(1-Oxoisoquinolin-2(1H)-yl)acetic acid

  • CAS No. 59139-93-4

  • Cat. No. CS-0155965
  • Molecule weight203.19
  • Purity≥98%
  • MDL No.MFCD14551171

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

2-(1-Oxoisoquinolin-2(1H)-yl)acetic acid|CS-0155965

Structure of 59139-93-4

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General Information

  • CAS No. 59139-93-4
  • Cat. No. CS-0155965
  • Purity ≥98%
  • MDL No. MFCD14551171
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉NO₃
  • Molecular Weight 203.19
  • Synonym(s) (1-Oxo-1H-isoquinolin-2-yl)-acetic acid
  • SMILES C1=CC=C2C(=C1)C=CN(CC(=O)O)C2=O

Synthesis

  • Route1
    • null|null
      1444010-78-9
    • ~%
    • 2-(1-Oxoisoquinolin-2(1H)-yl)acetic acid|CS-0155965
      59139-93-4

    References

    • ARES TRADING S.A.; SWINNEN, Dominique; MORANDI, Federica Patent: WO2013/92979 A1, 2013 ; Location in patent: Page/Page column 54; 55 ;
  • Route2

    References

    • ARES TRADING S.A.; SWINNEN, Dominique; MORANDI, Federica Patent: WO2013/92979 A1, 2013 ;
  • Route3
    • null|null
      1532-72-5
    • ~%
    • 2-(1-Oxoisoquinolin-2(1H)-yl)acetic acid|CS-0155965
      59139-93-4

    References

    • ARES TRADING S.A.; SWINNEN, Dominique; MORANDI, Federica Patent: WO2013/92979 A1, 2013 ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   59.3
  • LogP   1.0861
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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