Cas no 86552-03-6 (Dimethyl 3,6-dimethyl-4,5-diphenylbenzene-1,2-dicarboxylate)

Dimethyl 3,6-dimethyl-4,5-diphenylbenzene-1,2-dicarboxylate structure
86552-03-6 structure
Product Name:Dimethyl 3,6-dimethyl-4,5-diphenylbenzene-1,2-dicarboxylate
CAS No:86552-03-6
MF:C24H22O4
MW:374.429087162018
CID:991744
PubChem ID:302442
Update Time:2025-04-20

Dimethyl 3,6-dimethyl-4,5-diphenylbenzene-1,2-dicarboxylate Chemical and Physical Properties

Names and Identifiers

    • dimethyl 3,6-dimethyl-4,5-diphenylbenzene-1,2-dicarboxylate
    • DTXSID40307085
    • Dimethyl 2~3~,2~6~-dimethyl[1~1~,2~1~:2~2~,3~1~-terphenyl]-2~4~,2~5~-dicarboxylate
    • 86552-03-6
    • NSC186957
    • NSC-186957
    • Dimethyl 3,6-dimethyl-4,5-diphenylbenzene-1,2-dicarboxylate
    • Inchi: 1S/C24H22O4/c1-15-19(17-11-7-5-8-12-17)20(18-13-9-6-10-14-18)16(2)22(24(26)28-4)21(15)23(25)27-3/h5-14H,1-4H3
    • InChI Key: QYFOMSSCSULOTH-UHFFFAOYSA-N
    • SMILES: O(C)C(C1=C(C(=O)OC)C(C)=C(C2C=CC=CC=2)C(C2C=CC=CC=2)=C1C)=O

Computed Properties

  • Exact Mass: 374.152
  • Monoisotopic Mass: 374.152
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 6
  • Complexity: 485
  • 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: 5.6
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • Density: 1.14
  • Boiling Point: 446.6°C at 760 mmHg
  • Flash Point: 215°C
  • Refractive Index: 1.575
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