Cas no 20787-49-9 (4-[4-(4-carboxybenzoyl)benzoyl]benzoic Acid)

4-[4-(4-carboxybenzoyl)benzoyl]benzoic Acid structure
20787-49-9 structure
Product Name:4-[4-(4-carboxybenzoyl)benzoyl]benzoic Acid
CAS No:20787-49-9
MF:C22H14O6
MW:374.342966556549
CID:1400082
PubChem ID:220047
Update Time:2025-04-20

4-[4-(4-carboxybenzoyl)benzoyl]benzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 4-[4-(4-carboxybenzoyl)benzoyl]benzoic Acid
    • 4,4'-(benzene-1,4-diyldicarbonyl)dibenzoic acid
    • 4,4'-Terephthaloyl-di-benzoesaeure
    • NSC2269
    • 4,4'-terephthaloyl-di-benzoic acid
    • 1.4-Bis-(4-carboxy-benzoyl)-benzol
    • CHEMBL35997
    • AC1Q5V1T
    • CTK4E5121
    • AR-1F7431
    • SureCN2407327
    • AC1L582C
    • 4,4'-(benzene-1,4-diyldicarbonyl)dibenzoic acid; 4,4'-Terephthaloyl-di-benzoesaeure; NSC2269; 4,4'-terephthaloyl-di-benzoic acid; 1.4-Bis-(4-carboxy-benzoyl)-benzol; CHEMBL35997; AC1Q5V1T; CTK4E5121; AR-1F7431; SureCN2407327; AC1L582C;
    • 20787-49-9
    • 1,4-BIS(4-CARBOXYBENZOYL)BENZENE
    • NSC-2269
    • Benzoic acid, 4,4'-(1,4-phenylenedicarbonyl)bis-
    • SCHEMBL2407327
    • DTXSID00277412
    • BDBM50407318
    • Inchi： 1S/C22H14O6/c23-19(15-5-9-17(10-6-15)21(25)26)13-1-2-14(4-3-13)20(24)16-7-11-18(12-8-16)22(27)28/h1-12H,(H,25,26)(H,27,28)
    • InChI Key： NQTSEFRXDSPIJI-UHFFFAOYSA-N
    • SMILES： O=C(C1C=CC(C(=O)O)=CC=1)C1C=CC(=CC=1)C(C1C=CC(C(=O)O)=CC=1)=O

Computed Properties

  • Exact Mass: 374.07902
  • Monoisotopic Mass: 374.07903816g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 6
  • Complexity: 549
  • 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: 4.7
  • Topological Polar Surface Area: 109?2

Experimental Properties

  • PSA: 108.74
  • LogP: 3.54500

4-[4-(4-carboxybenzoyl)benzoyl]benzoic Acid Related Literature

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