Cas no 2941-80-2 ([1,1'-Biphenyl]-2,2'-dicarboxylicacid, 4,4'-dimethyl-, 2,2'-dimethyl ester)

[1,1'-Biphenyl]-2,2'-dicarboxylicacid, 4,4'-dimethyl-, 2,2'-dimethyl ester structure
2941-80-2 structure
Product Name:[1,1'-Biphenyl]-2,2'-dicarboxylicacid, 4,4'-dimethyl-, 2,2'-dimethyl ester
CAS No:2941-80-2
MF:C18H18O4
MW:298.333125591278
CID:257673
PubChem ID:414501
Update Time:2025-04-19

[1,1'-Biphenyl]-2,2'-dicarboxylicacid, 4,4'-dimethyl-, 2,2'-dimethyl ester Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-2,2'-dicarboxylicacid, 4,4'-dimethyl-, 2,2'-dimethyl ester
    • methyl 2-(2-methoxycarbonyl-4-methylphenyl)-5-methylbenzoate
    • 4,4'-Dimethylbiphenyl-2,2'-dicarbonsaeuredimethylester
    • 4,4'-dimethyl-diphenic acid dimethyl ester
    • 4,4'-Dimethyl-diphensaeure-dimethylester
    • AC1L97TF
    • dimethyl 4,4'-dimethyl-2,2'-biphenyldicarboxylate
    • Dimethyl-4,4'-Me2-diphenat
    • NSC60080
    • NSC-60080
    • DTXSID70328849
    • NSC 60080
    • 2941-80-2
    • Inchi: 1S/C18H18O4/c1-11-5-7-13(15(9-11)17(19)21-3)14-8-6-12(2)10-16(14)18(20)22-4/h5-10H,1-4H3
    • InChI Key: RZTPBYRDGGSKPG-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=C(C)C=CC=1C1C=CC(C)=CC=1C(=O)OC)=O

Computed Properties

  • Exact Mass: 298.12054
  • 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

Experimental Properties

  • PSA: 52.6
  • LogP: 3.54360
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