Cas no 87919-76-4 (3-Hexenoic acid, 3,4-dimethyl-)

3-Hexenoic acid, 3,4-dimethyl- structure
87919-76-4 structure
Product Name:3-Hexenoic acid, 3,4-dimethyl-
CAS No:87919-76-4
MF:C8H14O2
MW:142.195562839508
CID:650696
PubChem ID:71411803
Update Time:2025-04-19

3-Hexenoic acid, 3,4-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 3-Hexenoic acid, 3,4-dimethyl-
    • 3,4-dimethylhex-3-enoic acid
    • 87919-76-4
    • DTXSID30831389
    • Inchi: 1S/C8H14O2/c1-4-6(2)7(3)5-8(9)10/h4-5H2,1-3H3,(H,9,10)
    • InChI Key: MMWHMSCZTCZHKJ-UHFFFAOYSA-N
    • SMILES: OC(CC(C)=C(C)CC)=O

Computed Properties

  • Exact Mass: 142.099379685g/mol
  • Monoisotopic Mass: 142.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 157
  • 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: 2.4
  • Topological Polar Surface Area: 37.3?2
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