Cas no 618120-26-6 (1,4-Benzenedicarboxylic acid, 2-(4-methoxybenzoyl)-)

1,4-Benzenedicarboxylic acid, 2-(4-methoxybenzoyl)- structure
618120-26-6 structure
Product Name:1,4-Benzenedicarboxylic acid, 2-(4-methoxybenzoyl)-
CAS No:618120-26-6
MF:C16H12O6
MW:300.262885093689
CID:1630099
PubChem ID:71391927
Update Time:2025-04-21

1,4-Benzenedicarboxylic acid, 2-(4-methoxybenzoyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Benzenedicarboxylic acid, 2-(4-methoxybenzoyl)-
    • 2-(4-methoxybenzoyl)terephthalic acid
    • 2-(4-Methoxybenzoyl)benzene-1,4-dicarboxylic acid
    • 618120-26-6
    • DTXSID20813750
    • Inchi: 1S/C16H12O6/c1-22-11-5-2-9(3-6-11)14(17)13-8-10(15(18)19)4-7-12(13)16(20)21/h2-8H,1H3,(H,18,19)(H,20,21)
    • InChI Key: IUDSNYPCMFOOTB-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(=CC=1)OC)C1C=C(C(=O)O)C=CC=1C(=O)O

Computed Properties

  • Exact Mass: 300.06336
  • Monoisotopic Mass: 300.06338810g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 5
  • Complexity: 438
  • 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: 2.3
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • PSA: 100.9
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