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2,3-Dihydro-1,3-dioxo-2-(2-propen-1-yl)-1H-isoindole-5-carboxylic acid

  • CAS No. 41441-42-3

  • Cat. No. CS-0230934
  • Purity≥97%
  • MDL No.None

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

2,3-Dihydro-1,3-dioxo-2-(2-propen-1-yl)-1H-isoindole-5-carboxylic acid|CS-0230934

Structure of 41441-42-3

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General Information

  • CAS No. 41441-42-3
  • Cat. No. CS-0230934
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₉NO₄
  • Molecular Weight 231.20
  • Synonym(s) 2-Allyl-1,3-dioxoisoindoline-5-carboxylic acid
  • SMILES C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)O)C1=O

Synthesis

  • Route1

    References

    • AMGEN INC.; BISWAS, Kaustav; BROWN, James; CHEN, Jian, J.; GORE, Vijay, Keshav; HARRIED, Scott; HORNE, Daniel, B.; KALLER, Matthew, R.; LIU, Qingyian; MA, Vu, Van; MONENSCHEIN, Holger; NGUYEN, Thomas, T.; YUAN, Chester, Chenguang; ZHONG, Wenge; ST. JEAN, David, J., Jr. Patent: WO2012/177893 A2, 2012 ; Location in patent: Page/Page column 196 ; WO 2012/177893 A2

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   74.68
  • LogP   1.1668
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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