Cas no 775304-06-8 (3-(5-tert-Butyl-1,2,4-oxadiazol-3-yl)benzoic acid)

3-(5-tert-Butyl-1,2,4-oxadiazol-3-yl)benzoic acid structure
775304-06-8 structure
Product Name:3-(5-tert-Butyl-1,2,4-oxadiazol-3-yl)benzoic acid
CAS No:775304-06-8
MF:C13H14N2O3
MW:246.261863231659
MDL:MFCD12027002
CID:3047113
PubChem ID:11299581
Update Time:2025-04-21

3-(5-tert-Butyl-1,2,4-oxadiazol-3-yl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(5-tert-Butyl-1,2,4-oxadiazol-3-yl)benzoic acid
    • ALBB-005679
    • LS-02120
    • CS-0331078
    • 3-(5-(tert-Butyl)-1,2,4-oxadiazol-3-yl)benzoicacid
    • 3-(5-(tert-Butyl)-1,2,4-oxadiazol-3-yl)benzoic acid
    • MFCD12027002
    • STK503543
    • AKOS005171506
    • 775304-06-8
    • SCHEMBL60207
    • H23929
    • MDL： MFCD12027002
    • Inchi： 1S/C13H14N2O3/c1-13(2,3)12-14-10(15-18-12)8-5-4-6-9(7-8)11(16)17/h4-7H,1-3H3,(H,16,17)
    • InChI Key： ZYGDISPYCSVBNE-UHFFFAOYSA-N
    • SMILES： O1C(C(C)(C)C)=NC(C2C=CC=C(C(=O)O)C=2)=N1

Computed Properties

  • Exact Mass: 246.10044231g/mol
  • Monoisotopic Mass: 246.10044231g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 314
  • 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: 3
  • Topological Polar Surface Area: 76.2?2

3-(5-tert-Butyl-1,2,4-oxadiazol-3-yl)benzoic acid Pricemore >>

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