3-Acetylthiophene

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Properties Simple | Detailed

Formula C6H6OS
IUPAC Name 1-(3-thienyl)ethanone
Molecular Mass 126.176 g·mol−1
Heat of Formation -55.9 ± 16.7 kJ·mol−1
Dipole Moment 3.12 ± 1.08 D
Volume 148.49 Å 3
Surface Area 153.47 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-thiophen-3-ylethanone
  • bb_sc-4782
  • ethanone, 1-(3-thienyl)-
  • ketone, methyl 3-thienyl
  • methyl 3-thienyl ketone
  • methyl-3-thienyl ketone
CAS Number(s)
  • 1468-83-3
InChIKey RNIDWJDZNNVFDY-UHFFFAOYSA-N
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DOI
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