Cas no 692-91-1 (2,4-Hexadienedioic acid, dimethyl ester, (Z,Z)-)

2,4-Hexadienedioic acid, dimethyl ester, (Z,Z)- structure
692-91-1 structure
Product Name:2,4-Hexadienedioic acid, dimethyl ester, (Z,Z)-
CAS No:692-91-1
MF:C8H10O4
MW:170.162602901459
CID:391960
PubChem ID:5370245
Update Time:2025-04-19

2,4-Hexadienedioic acid, dimethyl ester, (Z,Z)- Chemical and Physical Properties

Names and Identifiers

    • 2,4-Hexadienedioic acid, dimethyl ester, (Z,Z)-
    • (2Z,4Z)-2,4-Hexadienedioic acid dimethyl ester
    • Dimethyl (Z,E)-2,4-hexadienoate
    • (2Z,4Z)-hexa-2,4-dienedioic acid dimethyl ester
    • PXYBXMZVYNWQAM-GLIMQPGKSA-N
    • 95YVN99DE3
    • cis,cis-muconic acid dimethyl ester
    • DIMETHYL MUCONATE, (Z,Z)-
    • DIMETHYL (Z,Z)-2,4-HEXADIENOATE
    • dimethyl (z,z)-muconate
    • SCHEMBL823097
    • Q27271829
    • 2,4-Hexadienedioic acid, dimethyl ester, (Z,E)-
    • 2,4-HEXADIENEDIOIC ACID, 1,6-DIMETHYL ESTER, (2Z,4Z)-
    • Dimethyl muconate, (Z,E)-
    • 2,4-Hexadienedioic acid, 1,6-dimethyl ester, (2Z,4E)-
    • 692-91-1
    • (Z,Z)-dimethyl muconate
    • DIMETHYL-(2Z,4Z)-HEXA-2,4-DIENDIOATE
    • (Z,Z)-Muconic acid dimethyl ester
    • UNII-95YVN99DE3
    • MUCONIC ACID (Z,Z)-FORM DIMETHYL ESTER [MI]
    • Dimethyl (2Z,4Z)-2,4-hexadienedioate #
    • cis,cis-Dimethyl muconate
    • Muconic acid (Z,E)-form dimethyl ester [MI]
    • Dimethyl-(2Z,4E)-hexa-2,4-diendioate
    • Inchi: 1S/C8H10O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H,1-2H3/b5-3-,6-4-
    • InChI Key: PXYBXMZVYNWQAM-GLIMQPGKSA-N
    • SMILES: O(C)C(/C=C\C=C/C(=O)OC)=O

Computed Properties

  • Exact Mass: 170.05790880g/mol
  • Monoisotopic Mass: 170.05790880g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • Complexity: 191
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.9
  • Topological Polar Surface Area: 52.6?2
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