Cas no 922529-73-5 ([1,1'-Biphenyl]-2,4-dicarboxylic acid, 4'-cyano-, 2,4-diethyl ester)

[1,1'-Biphenyl]-2,4-dicarboxylic acid, 4'-cyano-, 2,4-diethyl ester structure
922529-73-5 structure
Product Name:[1,1'-Biphenyl]-2,4-dicarboxylic acid, 4'-cyano-, 2,4-diethyl ester
CAS No:922529-73-5
MF:C19H17NO4
MW:323.342585325241
CID:753815
PubChem ID:71423594
Update Time:2025-04-19

[1,1'-Biphenyl]-2,4-dicarboxylic acid, 4'-cyano-, 2,4-diethyl ester Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-2,4-dicarboxylic acid, 4'-cyano-, 2,4-diethyl ester
    • diethyl 4-(4-cyanophenyl)benzene-1,3-dicarboxylate
    • Diethyl 4'-cyano[1,1'-biphenyl]-2,4-dicarboxylate
    • DTXSID00842407
    • 922529-73-5
    • Inchi: 1S/C19H17NO4/c1-3-23-18(21)15-9-10-16(17(11-15)19(22)24-4-2)14-7-5-13(12-20)6-8-14/h5-11H,3-4H2,1-2H3
    • InChI Key: ZDKVYNQPRCDPPR-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1C=C(C(=O)OCC)C=CC=1C1C=CC(C#N)=CC=1)=O

Computed Properties

  • Exact Mass: 323.11575802g/mol
  • Monoisotopic Mass: 323.11575802g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 7
  • Complexity: 487
  • 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: 3.7
  • Topological Polar Surface Area: 76.4?2
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