Cas no 500904-59-6 (Benzoic acid, 2,2'-[1,4-phenylenebis(oxymethylene)]bis-, dimethyl ester)

Benzoic acid, 2,2'-[1,4-phenylenebis(oxymethylene)]bis-, dimethyl ester structure
500904-59-6 structure
Product Name:Benzoic acid, 2,2'-[1,4-phenylenebis(oxymethylene)]bis-, dimethyl ester
CAS No:500904-59-6
MF:C24H22O6
MW:406.427887439728
CID:1550799
PubChem ID:71366819
Update Time:2025-04-21

Benzoic acid, 2,2'-[1,4-phenylenebis(oxymethylene)]bis-, dimethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2,2'-[1,4-phenylenebis(oxymethylene)]bis-, dimethyl ester
    • methyl 2-[[4-[(2-methoxycarbonylphenyl)methoxy]phenoxy]methyl]benzoate
    • 500904-59-6
    • Dimethyl 2,2'-[1,4-phenylenebis(oxymethylene)]dibenzoate
    • DTXSID30790169
    • Inchi: 1S/C24H22O6/c1-27-23(25)21-9-5-3-7-17(21)15-29-19-11-13-20(14-12-19)30-16-18-8-4-6-10-22(18)24(26)28-2/h3-14H,15-16H2,1-2H3
    • InChI Key: VAVMJLYRTGHLAD-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(=CC=1)OCC1C=CC=CC=1C(=O)OC)CC1C=CC=CC=1C(=O)OC

Computed Properties

  • Exact Mass: 406.14166
  • Monoisotopic Mass: 406.14163842g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 10
  • Complexity: 494
  • 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: 4.6
  • Topological Polar Surface Area: 71.1?2

Experimental Properties

  • PSA: 71.06

Benzoic acid, 2,2'-[1,4-phenylenebis(oxymethylene)]bis-, dimethyl ester Related Literature

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