Cas no 129720-19-0 ([1,1'-Biphenyl]-4-carboxylic acid, 3'-methyl-4'-pentyl-)

[1,1'-Biphenyl]-4-carboxylic acid, 3'-methyl-4'-pentyl- structure
129720-19-0 structure
Product Name:[1,1'-Biphenyl]-4-carboxylic acid, 3'-methyl-4'-pentyl-
CAS No:129720-19-0
MF:C19H22O2
MW:282.376785755157
CID:1225123
Update Time:2024-08-03

[1,1'-Biphenyl]-4-carboxylic acid, 3'-methyl-4'-pentyl- Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-4-carboxylic acid, 3'-methyl-4'-pentyl-
    • Inchi： 1S/C19H22O2/c1-3-4-5-6-15-7-12-18(13-14(15)2)16-8-10-17(11-9-16)19(20)21/h7-13H,3-6H2,1-2H3,(H,20,21)
    • InChI Key： UNVOWGBYCYVUCU-UHFFFAOYSA-N
    • SMILES： C1(C2=CC=C(CCCCC)C(C)=C2)=CC=C(C(O)=O)C=C1

Computed Properties

  • Exact Mass: 282.16206

Experimental Properties

  • Density: 1.062±0.06 g/cm3(Predicted)
  • Boiling Point: 433.0±34.0 °C(Predicted)
  • PSA: 37.3
  • pka: 4.24±0.10(Predicted)

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