3-Butyn-2-One

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Properties Simple | Detailed

Formula C4H4O
IUPAC Name but-3-yn-2-one
Molecular Mass 68.074 g·mol−1
Heat of Formation 68.9 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 95.86 Å 3
Surface Area 112.69 Å 2
HOMO Energy -10.62 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-butyn-3-one
  • b120
  • methyl ethynyl ketone
CAS Number(s)
  • 1423-60-5
InChIKey XRGPFNGLRSIPSA-UHFFFAOYSA-N
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DOI
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Elements H C O