Cas no 133674-40-5 (3-tert-butyl-1,2-oxazole-5-carboxylic acid)

3-tert-butyl-1,2-oxazole-5-carboxylic acid structure
133674-40-5 structure
Product Name:3-tert-butyl-1,2-oxazole-5-carboxylic acid
CAS No:133674-40-5
MF:C8H11NO3
MW:169.177842378616
MDL:MFCD07701409
CID:899721
PubChem ID:21648497
Update Time:2024-11-02

3-tert-butyl-1,2-oxazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Isoxazolecarboxylicacid,3-(1,1-dimethylethyl)-(9CI)
    • 3-tert-butyl-1,2-oxazole-5-carboxylic acid
    • SCHEMBL351579
    • Z1198173603
    • 3-tert-butyl-isoxazole-5-carboxylic acid
    • 3-(tert-Butyl)isoxazole-5-carboxylic acid
    • EN300-220251
    • 3-tert-Butylisoxazole-5-carboxylic acid
    • MFCD07701409
    • SY308858
    • 133674-40-5
    • CS-0134662
    • AKOS006284125
    • SLQOTICTFRAFGX-UHFFFAOYSA-N
    • 3-(tert-Butyl)isoxazole-5-carboxylicacid
    • DB-122786
    • MDL： MFCD07701409
    • Inchi： InChI=1S/C8H11NO3/c1-8(2,3)6-4-5(7(10)11)12-9-6/h4H,1-3H3,(H,10,11)
    • InChI Key： SLQOTICTFRAFGX-UHFFFAOYSA-N
    • SMILES： CC(C)(C)C1=NOC(=C1)C(O)=O

Computed Properties

  • Exact Mass: 169.07393
  • Monoisotopic Mass: 169.07389321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 185
  • 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: 1.9
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • PSA: 63.33

3-tert-butyl-1,2-oxazole-5-carboxylic acid Pricemore >>

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