4-Cyanobenzoic Acid

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Properties Simple | Detailed

Formula C8H5NO2
IUPAC Name 4-cyanobenzoic acid
Molecular Mass 147.131 g·mol−1
Heat of Formation -142.2 ± 16.7 kJ·mol−1
Dipole Moment 2.53 ± 1.08 D
Volume 170.19 Å 3
Surface Area 175.34 Å 2
HOMO Energy -10.79 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry Cs
Synonyms
  • benzoic acid, 4-cyano-
  • benzoic acid, p-cyano-
  • benzoic acid, p-cyano- (8ci)
  • fr-2274
  • p-carboxybenzonitrile
  • p-cyanobenzoic acid
CAS Number(s)
  • 619-65-8
InChIKey ADCUEPOHPCPMCE-UHFFFAOYSA-N
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