Cas no 52657-21-3 (Dimethyl 2-[2,6-bis(methoxycarbonyl)phenyl]benzene-1,3-dicarboxylate)

Dimethyl 2-[2,6-bis(methoxycarbonyl)phenyl]benzene-1,3-dicarboxylate structure
52657-21-3 structure
Product Name:Dimethyl 2-[2,6-bis(methoxycarbonyl)phenyl]benzene-1,3-dicarboxylate
CAS No:52657-21-3
MF:C20H18O8
MW:386.352126598358
CID:1578194
PubChem ID:415998
Update Time:2025-04-21

Dimethyl 2-[2,6-bis(methoxycarbonyl)phenyl]benzene-1,3-dicarboxylate Chemical and Physical Properties

Names and Identifiers

    • Dimethyl 2-[2,6-bis(methoxycarbonyl)phenyl]benzene-1,3-dicarboxylate
    • NSC74935
    • AC1L9ASJ
    • NCIOpen2_009067
    • NSC-74935
    • Biphenyl-2,2',6,6'-tetracarboxylic acid, tetramethyl ester
    • Tetramethyl [1,1'-biphenyl]-2,2',6,6'-tetracarboxylate
    • NSC74935; AC1L9ASJ; NCIOpen2_009067; NSC-74935; Biphenyl-2,2',6,6'-tetracarboxylic acid, tetramethyl ester; Tetramethyl [1,1'-biphenyl]-2,2',6,6'-tetracarboxylate;
    • 52657-21-3
    • DOCYRKPSQYKQIU-UHFFFAOYSA-N
    • DS-007492
    • DTXSID60328974
    • Tetramethyl [1,1'-biphenyl]-2,2',6,6'-tetracarboxylate #
    • Inchi: 1S/C20H18O8/c1-25-17(21)11-7-5-8-12(18(22)26-2)15(11)16-13(19(23)27-3)9-6-10-14(16)20(24)28-4/h5-10H,1-4H3
    • InChI Key: DOCYRKPSQYKQIU-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=CC=C(C(=O)OC)C=1C1C(C(=O)OC)=CC=CC=1C(=O)OC)=O

Computed Properties

  • Exact Mass: 386.10014
  • Monoisotopic Mass: 386.10016753g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 9
  • Complexity: 501
  • 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
  • Topological Polar Surface Area: 105?2

Experimental Properties

  • PSA: 105.2
  • LogP: 2.50000
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