(2Z)-2-(Hydroxymethylene)-1-Benzothiophen-3(2H)-One

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Properties Simple | Detailed

Formula C9H6O2S
IUPAC Name (2z)-2-(hydroxymethylene)benzothiophen-3-one
Molecular Mass 178.208 g·mol−1
Heat of Formation -154.4 ± 16.7 kJ·mol−1
Dipole Moment 2.43 ± 1.08 D
Volume 193.68 Å 3
Surface Area 189.84 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 2.03 ± eV
Point Group Symmetry Cs
Synonyms
  • (2z)-2-(hydroxymethylene)-3-benzothiophenone
  • (2z)-2-(hydroxymethylene)benzothiophen-3-one
  • (2z)-2-(hydroxymethylidene)-1-benzothiophen-3-one
  • 2-(hydroxymethylene)-3-benzothiophenone
  • 2-(hydroxymethylene)benzothiophen-3-one
  • 2-(hydroxymethylidene)-1-benzothiophen-3-one
  • 3-hfbt
  • 3-hydroxy-2-formylbenzothiophene
  • benzo(b)thiophene-2-carboxaldehyde, 3-hydroxy-
CAS Number(s)
  • 27751-82-2
InChIKey WCKOEGSNTZMYET-YVMONPNESA-N
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