Cas no 52642-66-7 (3-Buten-2-one, 1-hydroxy-)

3-Buten-2-one, 1-hydroxy- structure
3-Buten-2-one, 1-hydroxy- structure
Product Name:3-Buten-2-one, 1-hydroxy-
CAS No:52642-66-7
MF:C4H6O2
MW:86.0892415046692
CID:359193
PubChem ID:12369703
Update Time:2025-04-19

3-Buten-2-one, 1-hydroxy- Chemical and Physical Properties

Names and Identifiers

    • 3-Buten-2-one, 1-hydroxy-
    • 1-hydroxybut-3-en-2-one
    • DTXSID10494754
    • LHBQGXZUVXFJRH-UHFFFAOYSA-N
    • Vinylidenglykol
    • 52642-66-7
    • hydroxymethylvinyl ketone
    • FT-0700954
    • Inchi: 1S/C4H6O2/c1-2-4(6)3-5/h2,5H,1,3H2
    • InChI Key: LHBQGXZUVXFJRH-UHFFFAOYSA-N
    • SMILES: OCC(C=C)=O

Computed Properties

  • Exact Mass: 86.03678
  • Monoisotopic Mass: 86.036779430g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 2
  • Complexity: 65.9
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.1
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3
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