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3-Oxo-3-(oxolan-3-yl)propanenitrile

  • CAS No. 1186610-03-6

  • Cat. No. CS-0051228
  • Molecule weight139.15
  • Purity≥97%
  • MDL No.None

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

3-Oxo-3-(oxolan-3-yl)propanenitrile|CS-0051228

Structure of 1186610-03-6

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General Information

  • CAS No. 1186610-03-6
  • Cat. No. CS-0051228
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉NO₂
  • Molecular Weight 139.15
  • Synonym(s) 3-Oxo-3-(tetrahydro-furan-3-yl)-propionitrile
  • SMILES O=C(CC#N)C1CCOC1

Synthesis

  • Route1

    References

    • ARRAY BIOPHARMA INC.; GENENTECH, INC.; AHRENDT, Kateri A.; BUCKMELTER, Alexandre J.; DE MEESE, Jason; GRINA, Jonas; HANSEN, Joshua D.; LAIRD, Ellen R.; LUNGHOFER, Paul; MORENO, David; NEWHOUSE, Brad; REN, Li; SEO, Jeongbeob; TIAN, Hongqi; WENGLOWSKY, Steven Mark; FENG, Bainian; GUNZNER, Janet; MALESKY, Kim; MATHIEU, Simon; RUDOLPH, Joachim; WEN, Zhaoyang; YOUNG, Wendy B. Patent: WO2009/111279 A1, 2009 ; Location in patent: Page/Page column 123 ; WO 2009/111279 A1

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   0.50568
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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