Cas no 67801-53-0 (dimethyl 4'-methyl[1,1'-biphenyl]-2,5-dicarboxylate)

dimethyl 4'-methyl[1,1'-biphenyl]-2,5-dicarboxylate structure
67801-53-0 structure
Product Name:dimethyl 4'-methyl[1,1'-biphenyl]-2,5-dicarboxylate
CAS No:67801-53-0
MF:C17H16O4
MW:284.306545257568
CID:967087
PubChem ID:105655
Update Time:2025-04-19

dimethyl 4'-methyl[1,1'-biphenyl]-2,5-dicarboxylate Chemical and Physical Properties

Names and Identifiers

    • dimethyl 4'-methyl[1,1'-biphenyl]-2,5-dicarboxylate
    • dimethyl 2-(4-methylphenyl)benzene-1,4-dicarboxylate
    • (1,1'-Biphenyl)-2,5-dicarboxylic acid, 4'-methyl-, 2,5-dimethyl ester
    • (1,1'-Biphenyl)-2,5-dicarboxylic acid, 4'-methyl-, dimethyl ester
    • Dimethyl 4'-methyl(1,1'-biphenyl)-2,5-dicarboxylate
    • dimethyl 4'-methylbiphenyl-2,5-dicarboxylate
    • SCHEMBL9423312
    • Dimethyl-2-(4-toluyl)-terephthalate
    • Dimethyl-2-(4-toluyl)terepthalate
    • 67801-53-0
    • [1,1'-Biphenyl]-2,5-dicarboxylic acid, 4'-methyl-, dimethyl ester
    • DTXSID3070622
    • Dimethyl2-(4-tolyl)terephthalate
    • LETKDZPIJVKUHW-UHFFFAOYSA-N
    • Dimethyl-2-(4-tolyl)terephthalate
    • EINECS 267-172-9
    • Dimethyl-2-(4-toluyl)terephthalate
    • NS00036183
    • Dimethyl-2-(4-toluyl)-terepthalate
    • Inchi： 1S/C17H16O4/c1-11-4-6-12(7-5-11)15-10-13(16(18)20-2)8-9-14(15)17(19)21-3/h4-10H,1-3H3
    • InChI Key： LETKDZPIJVKUHW-UHFFFAOYSA-N
    • SMILES： O(C)C(C1C=CC(C(=O)OC)=CC=1C1C=CC(C)=CC=1)=O

Computed Properties

  • Exact Mass: 284.10488
  • Monoisotopic Mass: 284.10485899g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 5
  • Complexity: 371
  • 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: 3.6
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • PSA: 52.6

dimethyl 4'-methyl[1,1'-biphenyl]-2,5-dicarboxylate Related Literature

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