Cas no 79005-61-1 ([1,1'-Biphenyl]-2,2'-dicarboxylicacid, 2,2'-bis(1-methylethyl) ester)

[1,1'-Biphenyl]-2,2'-dicarboxylicacid, 2,2'-bis(1-methylethyl) ester structure
79005-61-1 structure
Product Name:[1,1'-Biphenyl]-2,2'-dicarboxylicacid, 2,2'-bis(1-methylethyl) ester
CAS No:79005-61-1
MF:C20H22O4
MW:326.386286258698
CID:575766
PubChem ID:419549
Update Time:2025-04-19

[1,1'-Biphenyl]-2,2'-dicarboxylicacid, 2,2'-bis(1-methylethyl) ester Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-2,2'-dicarboxylicacid, 2,2'-bis(1-methylethyl) ester
    • propan-2-yl 2-(2-propan-2-yloxycarbonylphenyl)benzoate
    • 2,2'-bis(isopropoxycarbonyl)-biphenyl
    • 2.2'-Diphensaeure-diisopropylester
    • AC1L9HYN
    • Biphenyl-o,o'-dicarbonsaeure-diisopropylester
    • diisopropyl 2,2'-biphenyldicarboxylate
    • diphenic acid diisopropyl ester
    • Diphensaeure-diisopropylester
    • NSC116223
    • Dipropan-2-yl [1,1'-biphenyl]-2,2'-dicarboxylate
    • NSC-116223
    • DTXSID50329334
    • 79005-61-1
    • Inchi： 1S/C20H22O4/c1-13(2)23-19(21)17-11-7-5-9-15(17)16-10-6-8-12-18(16)20(22)24-14(3)4/h5-14H,1-4H3
    • InChI Key： SSMPWJXLWVNYSS-UHFFFAOYSA-N
    • SMILES： O(C(C1C=CC=CC=1C1C=CC=CC=1C(=O)OC(C)C)=O)C(C)C

Computed Properties

  • Exact Mass: 326.15186
  • Monoisotopic Mass: 326.15180918g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 7
  • Complexity: 389
  • 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: 4.3
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • PSA: 52.6
  • LogP: 4.48400

[1,1'-Biphenyl]-2,2'-dicarboxylicacid, 2,2'-bis(1-methylethyl) ester Related Literature

79005-61-1 ([1,1'-Biphenyl]-2,2'-dicarboxylicacid, 2,2'-bis(1-methylethyl) ester) Related Products

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