Cas no 910321-99-2 (3-(butan-2-yl)-1,2-oxazole-5-carboxylic acid)

3-(butan-2-yl)-1,2-oxazole-5-carboxylic acid structure
910321-99-2 structure
Product Name:3-(butan-2-yl)-1,2-oxazole-5-carboxylic acid
CAS No:910321-99-2
MF:C8H11NO3
MW:169.177842378616
MDL:MFCD16706798
CID:1958291
PubChem ID:54595047
Update Time:2025-04-21

3-(butan-2-yl)-1,2-oxazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Isoxazolecarboxylic acid, 3-(1-methylpropyl)-
    • 3-butan-2-yl-1,2-oxazole-5-carboxylic acid
    • 910321-99-2
    • EN300-84977
    • (+/-)-3-sec-Butylisoxazole-5-carboxylic acid
    • AKOS011596756
    • Z975823508
    • XNHGJVDXVQTJQZ-UHFFFAOYSA-N
    • 3-(butan-2-yl)-1,2-oxazole-5-carboxylicacid
    • 3-(butan-2-yl)-1,2-oxazole-5-carboxylic acid
    • SCHEMBL5286213
    • 3-(SEC-BUTYL)-1,2-OXAZOLE-5-CARBOXYLIC ACID
    • MDL: MFCD16706798
    • Inchi: 1S/C8H11NO3/c1-3-5(2)6-4-7(8(10)11)12-9-6/h4-5H,3H2,1-2H3,(H,10,11)
    • InChI Key: XNHGJVDXVQTJQZ-UHFFFAOYSA-N
    • SMILES: O1C(C(=O)O)=CC(C(C)CC)=N1

Computed Properties

  • Exact Mass: 169.07389321Da
  • Monoisotopic Mass: 169.07389321Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 172
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 63.3?2

3-(butan-2-yl)-1,2-oxazole-5-carboxylic acid Pricemore >>

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