Cas no 86606-07-7 (2-Hexenedioic acid, 1-methyl ester, (E)-)

2-Hexenedioic acid, 1-methyl ester, (E)- structure
86606-07-7 structure
Product Name:2-Hexenedioic acid, 1-methyl ester, (E)-
CAS No:86606-07-7
MF:C7H9O4
MW:157.143962621689
CID:661253
PubChem ID:71413806
Update Time:2025-04-19

2-Hexenedioic acid, 1-methyl ester, (E)- Chemical and Physical Properties

Names and Identifiers

    • 2-Hexenedioic acid, 1-methyl ester, (E)-
    • 6-methoxy-6-oxohex-4-enoate
    • DTXSID40833314
    • 86606-07-7
    • Inchi: 1S/C7H10O4/c1-11-7(10)5-3-2-4-6(8)9/h3,5H,2,4H2,1H3,(H,8,9)/p-1
    • InChI Key: VRNDOBBGUXZEFQ-UHFFFAOYSA-M
    • SMILES: O(C)C(C=CCCC(=O)[O-])=O

Computed Properties

  • Exact Mass: 157.05008376g/mol
  • Monoisotopic Mass: 157.05008376g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 166
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 1
  • Topological Polar Surface Area: 66.4?2
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