Cas no 81134-11-4 (3,7-Decadienedioic acid, dimethyl ester)

3,7-Decadienedioic acid, dimethyl ester structure
81134-11-4 structure
Product Name:3,7-Decadienedioic acid, dimethyl ester
CAS No:81134-11-4
MF:C12H18O4
MW:226.268924236298
CID:704483
PubChem ID:54532998
Update Time:2025-04-19

3,7-Decadienedioic acid, dimethyl ester Chemical and Physical Properties

Names and Identifiers

    • 3,7-Decadienedioic acid, dimethyl ester
    • dimethyl deca-3,7-dienedioate
    • 81134-11-4
    • dimethyl 3,7-decadienedioate
    • SCHEMBL11335823
    • DTXSID80712013
    • Inchi: 1S/C12H18O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h5-8H,3-4,9-10H2,1-2H3
    • InChI Key: YXVOMQZYLIMCPJ-UHFFFAOYSA-N
    • SMILES: O(C)C(CC=CCCC=CCC(=O)OC)=O

Computed Properties

  • Exact Mass: 226.12050905g/mol
  • Monoisotopic Mass: 226.12050905g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 9
  • Complexity: 238
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 2
  • XLogP3: 1.8
  • Topological Polar Surface Area: 52.6?2
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