Cas no 36076-25-2 (p-benzenediacetic acid, dimethyl ester)

p-benzenediacetic acid, dimethyl ester structure
36076-25-2 structure
Product Name:p-benzenediacetic acid, dimethyl ester
CAS No:36076-25-2
MF:C12H14O4
MW:222.237164020538
CID:920975
PubChem ID:520774
Update Time:2025-04-19

p-benzenediacetic acid, dimethyl ester Chemical and Physical Properties

Names and Identifiers

    • p-benzenediacetic acid, dimethyl ester
    • DIMETHYL 2,2'-(1,4-PHENYLENE)DIACETATE
    • 1,4-Benzenediacetic acid, dimethyl ester
    • AC1LAUP2
    • benzene-1,4-diacetic acid dimethyl ester
    • CTK1B6522
    • dimethyl 1,4-benzenediacetate
    • dimethyl 2,2'-(1,4-phenylene)diacetic acid
    • dimethyl-p-phenylenediacetate
    • FT-0683052
    • p-Phenylendi-essigsaeure-dimethylester
    • p-phenylenedi-acetic acid dimethyl ester
    • SureCN4113212
    • dimethyl 1,4-phenylenediacetate
    • DTXSID80334456
    • WDAIQYFBXLZOHA-UHFFFAOYSA-N
    • 36076-25-2
    • AKOS015907712
    • methyl 2-[4-(2-methoxy-2-oxoethyl)phenyl]acetate
    • SCHEMBL4113212
    • MDL: MFCD19442207
    • Inchi: 1S/C12H14O4/c1-15-11(13)7-9-3-5-10(6-4-9)8-12(14)16-2/h3-6H,7-8H2,1-2H3
    • InChI Key: WDAIQYFBXLZOHA-UHFFFAOYSA-N
    • SMILES: O(C)C(CC1C=CC(=CC=1)CC(=O)OC)=O

Computed Properties

  • Exact Mass: 222.08922
  • Monoisotopic Mass: 222.08920892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 215
  • 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: 1.5
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • Density: 1.1995 (rough estimate)
  • Melting Point: 51.5°C
  • Boiling Point: 323.41°C (rough estimate)
  • Refractive Index: 1.5360 (estimate)
  • PSA: 52.6

p-benzenediacetic acid, dimethyl ester Security Information

  • HazardClass:IRRITANT

p-benzenediacetic acid, dimethyl ester Pricemore >>

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