Cas no 1782186-48-4 (5-(2-methylpropyl)-1,2-oxazole-4-carboxylic acid)

5-(2-methylpropyl)-1,2-oxazole-4-carboxylic acid structure
1782186-48-4 structure
Product Name:5-(2-methylpropyl)-1,2-oxazole-4-carboxylic acid
CAS No:1782186-48-4
MF:C8H11NO3
MW:169.177842378616
CID:5600533
PubChem ID:82412946
Update Time:2023-11-24

5-(2-methylpropyl)-1,2-oxazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Isoxazolecarboxylic acid, 5-(2-methylpropyl)-
    • 5-Isobutylisoxazole-4-carboxylic acid
    • 1782186-48-4
    • 5-(2-Methylpropyl)-1,2-oxazole-4-carboxylic acid
    • EN300-1819147
    • 5-(2-methylpropyl)-1,2-oxazole-4-carboxylic acid
    • Inchi： 1S/C8H11NO3/c1-5(2)3-7-6(8(10)11)4-9-12-7/h4-5H,3H2,1-2H3,(H,10,11)
    • InChI Key： KCIYRGSQDRPECX-UHFFFAOYSA-N
    • SMILES： O1C(CC(C)C)=C(C(O)=O)C=N1

Computed Properties

  • Exact Mass: 169.07389321g/mol
  • Monoisotopic Mass: 169.07389321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 170
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • Density: 1.173±0.06 g/cm3(Predicted)
  • Boiling Point: 301.3±22.0 °C(Predicted)
  • pka: 3.22±0.36(Predicted)

5-(2-methylpropyl)-1,2-oxazole-4-carboxylic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
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Enamine
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Enamine
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Enamine
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Enamine
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