Cas no 87425-59-0 (Acetic acid, 2,2'-[(5-methyl-1,3-phenylene)bis(oxy)]bis-)

Acetic acid, 2,2'-[(5-methyl-1,3-phenylene)bis(oxy)]bis- structure
87425-59-0 structure
Product Name:Acetic acid, 2,2'-[(5-methyl-1,3-phenylene)bis(oxy)]bis-
CAS No:87425-59-0
MF:C11H12O6
MW:240.209383964539
CID:656467
PubChem ID:3626972
Update Time:2025-04-19

Acetic acid, 2,2'-[(5-methyl-1,3-phenylene)bis(oxy)]bis- Chemical and Physical Properties

Names and Identifiers

    • Acetic acid, 2,2'-[(5-methyl-1,3-phenylene)bis(oxy)]bis-
    • 2-[3-(carboxymethoxy)-5-methylphenoxy]acetic acid
    • DTXSID80394439
    • SCHEMBL5387851
    • 87425-59-0
    • Inchi: 1S/C11H12O6/c1-7-2-8(16-5-10(12)13)4-9(3-7)17-6-11(14)15/h2-4H,5-6H2,1H3,(H,12,13)(H,14,15)
    • InChI Key: UOBAJSWXHKDRKK-UHFFFAOYSA-N
    • SMILES: O(CC(=O)O)C1C=C(C=C(C)C=1)OCC(=O)O

Computed Properties

  • Exact Mass: 240.06338810g/mol
  • Monoisotopic Mass: 240.06338810g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 6
  • Complexity: 251
  • 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: 1.6
  • Topological Polar Surface Area: 93.1?2
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