Cas no 76174-95-3 (3-Hexenedioic acid, monomethyl ester, (E)-)

3-Hexenedioic acid, monomethyl ester, (E)- structure
76174-95-3 structure
Product Name:3-Hexenedioic acid, monomethyl ester, (E)-
CAS No:76174-95-3
MF:C7H9O4
MW:157.143962621689
CID:538224
PubChem ID:71403625
Update Time:2025-04-19

3-Hexenedioic acid, monomethyl ester, (E)- Chemical and Physical Properties

Names and Identifiers

    • 3-Hexenedioic acid, monomethyl ester, (E)-
    • 6-methoxy-6-oxohex-3-enoate
    • DTXSID00824521
    • 76174-95-3
    • Inchi： 1S/C7H10O4/c1-11-7(10)5-3-2-4-6(8)9/h2-3H,4-5H2,1H3,(H,8,9)/p-1
    • InChI Key： XGCKGSYWJABUGN-UHFFFAOYSA-M
    • SMILES： O(C)C(CC=CCC(=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: 0.8
  • Topological Polar Surface Area: 66.4?2

3-Hexenedioic acid, monomethyl ester, (E)- Related Literature

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