Cas no 93878-26-3 ([1,1'-Biphenyl]-2,2'-dicarboxylic acid, 6,6'-dimethyl-, dimethyl ester)

[1,1'-Biphenyl]-2,2'-dicarboxylic acid, 6,6'-dimethyl-, dimethyl ester structure
93878-26-3 structure
Product Name:[1,1'-Biphenyl]-2,2'-dicarboxylic acid, 6,6'-dimethyl-, dimethyl ester
CAS No:93878-26-3
MF:C18H18O4
MW:298.333125591278
CID:752478
PubChem ID:13924926
Update Time:2025-04-19

[1,1'-Biphenyl]-2,2'-dicarboxylic acid, 6,6'-dimethyl-, dimethyl ester Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-2,2'-dicarboxylic acid, 6,6'-dimethyl-, dimethyl ester
    • methyl 2-(2-methoxycarbonyl-6-methylphenyl)-3-methylbenzoate
    • AE-641/03232045
    • 93878-26-3
    • dimethyl 6,6'-dimethyl[1,1'-biphenyl]-2,2'-dicarboxylate
    • DTXSID60552570
    • Inchi: 1S/C18H18O4/c1-11-7-5-9-13(17(19)21-3)15(11)16-12(2)8-6-10-14(16)18(20)22-4/h5-10H,1-4H3
    • InChI Key: NOHJRMLZYSJAHN-UHFFFAOYSA-N
    • SMILES: O(C)C(C1=CC=CC(C)=C1C1C(C(=O)OC)=CC=CC=1C)=O

Computed Properties

  • Exact Mass: 298.12050905g/mol
  • Monoisotopic Mass: 298.12050905g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 5
  • Complexity: 368
  • 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: 4
  • Topological Polar Surface Area: 52.6?2
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