4-Acetylbenzoic Acid

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Properties Simple | Detailed

Formula C9H8O3
IUPAC Name 4-acetylbenzoic acid
Molecular Mass 164.158 g·mol−1
Heat of Formation -450.5 ± 16.7 kJ·mol−1
Dipole Moment 3.75 ± 1.08 D
Volume 192.3 Å 3
Surface Area 190.95 Å 2
HOMO Energy -10.48 ± 0.55 eV
LUMO Energy 1.68 ± eV
Point Group Symmetry Cs
Synonyms
  • 4-ethanoylbenzoic acid
  • acetophenone-4-carboxylic acid
  • benzoic acid, 4-acetyl-
  • fr-2386
CAS Number(s)
  • 586-89-0
InChIKey QBHDSQZASIBAAI-UHFFFAOYSA-N
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DOI
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Elements H C O