Cas no 1797-82-6 (Benzoic acid,4,4'-carbonylbis-, 1,1'-diethyl ester)

Benzoic acid,4,4'-carbonylbis-, 1,1'-diethyl ester structure
1797-82-6 structure
Product Name:Benzoic acid,4,4'-carbonylbis-, 1,1'-diethyl ester
CAS No:1797-82-6
MF:C19H18O5
MW:326.343225955963
CID:118089
PubChem ID:11110194
Update Time:2025-04-18

Benzoic acid,4,4'-carbonylbis-, 1,1'-diethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,4,4'-carbonylbis-, 1,1'-diethyl ester
    • 4-(4-carboxylatobenzoyl)-2,3-diethylbenzoate
    • SCHEMBL6788089
    • DIETHYL BENZOPHENONE-4,4/'/'-DICARBOXYLATE
    • Diethyl benzophenone-4,4''-dicarboxylate
    • Ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
    • 1797-82-6
    • Diethyl 4,4'-carbonyldibenzoate
    • Inchi: 1S/C19H18O5/c1-3-23-18(21)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(22)24-4-2/h5-12H,3-4H2,1-2H3
    • InChI Key: FEDHHDIXLPGIMX-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1C=CC(=CC=1)C(C1C=CC(C(=O)OCC)=CC=1)=O)=O

Computed Properties

  • Exact Mass: 326.11544
  • Monoisotopic Mass: 326.11542367g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 4
  • Complexity: 467
  • 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
  • Surface Charge: -2
  • Tautomer Count: nothing
  • XLogP3: 5.2
  • Topological Polar Surface Area: 69.7?2

Experimental Properties

  • Color/Form: crystal
  • PSA: 69.67
  • Solubility: Not determined

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