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3-Oxoisoindoline-4-carboxylic acid

  • CAS No. 935269-27-5

  • Cat. No. CS-0062203
  • Molecule weight177.16
  • Purity≥96%
  • MDL No.MFCD11506114

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

3-Oxoisoindoline-4-carboxylic acid|CS-0062203

Structure of 935269-27-5

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General Information

  • CAS No. 935269-27-5
  • Cat. No. CS-0062203
  • Purity ≥96%
  • MDL No. MFCD11506114
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₃
  • Molecular Weight 177.16
  • Synonym(s) 2,3-dihydro-3-oxo-1H-Isoindole-4-carboxylic acid
  • SMILES O=C(O)C1=CC=CC2=C1C(NC2)=O

Synthesis

  • Route1

    References

    • Hughes, Terry V.; Emanuel, Stuart L.; O'Grady, Harold R.; Connolly, Peter J.; Rugg, Catherine; Fuentes-Pesquera, Angel R.; Karnachi, Prabha; Alexander, Richard; Middleton, Steven A. Bioorganic and Medicinal Chemistry Letters, 2008 , vol. 18, # 18 p. 5130 - 5133
  • Route2
    • 3-Oxoisoindoline-4-carboxamide|CS-0366076
      935269-26-4
    • ~%
    • In-stock
      3-Oxoisoindoline-4-carboxylic acid|CS-0062203
      935269-27-5

    References

    • JANSSEN PHARMACEUTICA, N.V. Patent: WO2007/47646 A2, 2007 ; Location in patent: Page/Page column 69 ; WO 2007/047646 A2

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

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Computational Chemistry Data

  • TPSA   66.4
  • LogP   0.6282
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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