chempirical

3-Butyn-2-one

C4H4OCAS 1423-60-568.07 g/mol

Open in Covalent MOL file
O
AlkyneKetone

Properties

Molecular formula
C4H4O
Molar mass
68.07 g/mol
Exact mass
68.0262 Da
Density
0.8796 g/mL (at 20 °C)
Boiling point
84 °C
logP
0.21Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
1423-60-5
SMILES
C#CC(C)=O
InChIKey
XRGPFNGLRSIPSA-UHFFFAOYSA-N
InChI
InChI=1S/C4H4O/c1-3-4(2)5/h1H,2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

5 names
  • Methyl ethynyl ketone
  • Ethynyl methyl ketone
  • Acetylacetylene
  • 1-Butyn-3-one
  • Acetylethyne

Work with 3-Butyn-2-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl propiolate922-67-838 % similar Propiolic acid471-25-036 % similar 2-Methyl-1-buten-3-yne78-80-836 % similar Ethyl propiolate623-47-233 % similar 4-Phenyl-3-butyn-2-one1817-57-831 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Furan110-00-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook