Cas no 98602-42-7 (4-Cyclobutylbut-3-en-2-one)

4-Cyclobutylbut-3-en-2-one structure
4-Cyclobutylbut-3-en-2-one structure
Product Name:4-Cyclobutylbut-3-en-2-one
CAS No:98602-42-7
MF:C8H12O
MW:124.180282592773
CID:801962
PubChem ID:14482795
Update Time:2025-04-19

4-Cyclobutylbut-3-en-2-one Chemical and Physical Properties

Names and Identifiers

    • 4-Cyclobutylbut-3-en-2-one
    • (3E)-4-CYCLOBUTYLBUT-3-EN-2-ONE
    • (E)-4-cyclobutylbut-3-en-2-one
    • 3-Buten-2-one,4-cyclobutyl-
    • DTXSID40560850
    • 98602-42-7
    • SCHEMBL10615509
    • 130146-27-9
    • EN300-1838654
    • 3-Buten-2-one,4-cyclobutyl-,(E)-(9ci)
    • Inchi: 1S/C8H12O/c1-7(9)5-6-8-3-2-4-8/h5-6,8H,2-4H2,1H3/b6-5+
    • InChI Key: WFGYHDUDDGCXIV-AATRIKPKSA-N
    • SMILES: O=C(C)/C=C/C1CCC1

Computed Properties

  • Exact Mass: 124.088815002g/mol
  • Monoisotopic Mass: 124.088815002g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 132
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • Density: 1.031
  • Boiling Point: 191.946°C at 760 mmHg
  • Flash Point: 67.664°C
  • Refractive Index: 1.558

4-Cyclobutylbut-3-en-2-one Pricemore >>

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