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CS-W001157 4
Total: USD 88.00

2-Cyano-4,4-dimethylpent-2-enoic acid

  • CAS No. 88319-37-3

  • Cat. No. CS-0197901
  • Molecule weight153.18
  • Purity≥97%
  • MDL No.MFCD30475394

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

2-Cyano-4,4-dimethylpent-2-enoic acid|CS-0197901

Structure of 88319-37-3

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General Information

  • CAS No. 88319-37-3
  • Cat. No. CS-0197901
  • Purity ≥97%
  • MDL No. MFCD30475394
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁NO₂
  • Molecular Weight 153.18
  • Synonym(s) 2-Cyano-4,4-dimethyl-pent-2-enoic acid
  • SMILES CC(C)(C)/C=C(C#N)/C(O)=O

Synthesis

  • Route1
    • In-stock
      Trimethylacetaldehyde|CS-0017962
      630-19-3
    • null|null
      372-09-8
    • ~%
    • In-stock
      2-Cyano-4,4-dimethylpent-2-enoic acid|CS-0197901
      88319-37-3

    References

    • PRINCIPIA BIOPHARMA INC.; GOLDSTEIN, David Michael; BRAMELD, Kenneth Albert Patent: WO2012/158810 A1, 2012 ; Location in patent: Page/Page column 108; 109 ; WO 2012/158810 A1

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H290-H314
Precautionary Statements : P234-P260-P264-P280-P301+P330+P331-P304+P340-P363-P390-P405-P406-P501

Quality Control

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Computational Chemistry Data

  • TPSA   61.09
  • LogP   1.56708
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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