Cas no 50560-69-5 (4-hydroxybut-2-ynal)

4-hydroxybut-2-ynal structure
4-hydroxybut-2-ynal structure
Product Name:4-hydroxybut-2-ynal
CAS No:50560-69-5
MF:C4H4O2
MW:84.0733613967896
CID:1568105
PubChem ID:439778
Update Time:2025-04-21

4-hydroxybut-2-ynal Chemical and Physical Properties

Names and Identifiers

    • 4-hydroxybut-2-ynal
    • C02648
    • DTXSID501315700
    • 4-Hydroxy-2-butynal
    • Q27102037
    • EN300-152311
    • 50560-69-5
    • CHEBI:16711
    • Inchi: 1S/C4H4O2/c5-3-1-2-4-6/h3,6H,4H2
    • InChI Key: QAPQYLWHUDXNHY-UHFFFAOYSA-N
    • SMILES: OCC#CC=O

Computed Properties

  • Exact Mass: 84.02112
  • Monoisotopic Mass: 84.021
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 0
  • Complexity: 92.6
  • 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: -0.5
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.156
  • Boiling Point: 222.1°C at 760 mmHg
  • Flash Point: 102.4°C
  • Refractive Index: 1.47
  • PSA: 37.3

4-hydroxybut-2-ynal Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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$0.0 2023-06-05
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Enamine
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