Cas no 81770-19-6 (4-tert-Butylbiphenyl-3-carboxylic acid)

4-tert-Butylbiphenyl-3-carboxylic acid structure
81770-19-6 structure
Product Name:4-tert-Butylbiphenyl-3-carboxylic acid
CAS No:81770-19-6
MF:C17H18O2
MW:254.323625087738
MDL:MFCD06802635
CID:856282
PubChem ID:12808923
Update Time:2025-04-19

4-tert-Butylbiphenyl-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-tert-Butylbiphenyl-3-carboxylic acid
    • 3-(4-tert-butylphenyl)benzoic acid
    • 4'-TERT-BUTYL[1,1'-BIPHENYL]-3-CARBOXYLIC ACID
    • BB 0223783
    • MFCD06802635
    • AKOS000124604
    • 4'-TERT-BUTYL-[1,1'-BIPHENYL]-3-CARBOXYLIC ACID
    • CS-0208129
    • 81770-19-6
    • DTXSID20510398
    • MDL: MFCD06802635
    • Inchi: 1S/C17H18O2/c1-17(2,3)15-9-7-12(8-10-15)13-5-4-6-14(11-13)16(18)19/h4-11H,1-3H3,(H,18,19)
    • InChI Key: UYCURRVOSGMKIZ-UHFFFAOYSA-N
    • SMILES: OC(C1=CC=CC(=C1)C1C=CC(=CC=1)C(C)(C)C)=O

Computed Properties

  • Exact Mass: 254.130679813g/mol
  • Monoisotopic Mass: 254.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 308
  • 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: 5.3
  • Topological Polar Surface Area: 37.3?2

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