Cas no 33689-28-0 (1,2-Cyclobutanedione)

1,2-Cyclobutanedione structure
1,2-Cyclobutanedione structure
Product Name:1,2-Cyclobutanedione
CAS No:33689-28-0
MF:C4H4O2
MW:84.0733613967896
CID:315075
PubChem ID:141827
Update Time:2025-04-19

1,2-Cyclobutanedione Chemical and Physical Properties

Names and Identifiers

    • 1,2-Cyclobutanedione
    • cyclobutane-1,2-dione
    • AKOS006271598
    • 1,2-Cylobutanedione
    • cyclobutanedione
    • DTXSID80187368
    • EN300-7277348
    • 33689-28-0
    • Inchi: 1S/C4H4O2/c5-3-1-2-4(3)6/h1-2H2
    • InChI Key: QDMRCCGQLCIMLG-UHFFFAOYSA-N
    • SMILES: O=C1C(CC1)=O

Computed Properties

  • Exact Mass: 84.02112
  • Monoisotopic Mass: 84.021
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 0
  • Complexity: 90.1
  • 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
  • Topological Polar Surface Area: 34.1A^2
  • XLogP3: -0.8

Experimental Properties

  • Density: 1.314±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 65℃。 用途 1,2-環(huán)丁二酮(33689-28-0)的用途:
  • Boiling Point: 155.7±9.0 oC (760 Torr),
  • Flash Point: 48.0±4.4 oC,
  • Refractive Index: 1.496
  • Solubility: Soluble (183 g/l) (25 o C),
  • PSA: 34.14

1,2-Cyclobutanedione Pricemore >>

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