2-Benzylbenzoic Acid

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Properties Simple | Detailed

Formula C14H12O2
IUPAC Name 2-benzylbenzoic acid
Molecular Mass 212.244 g·mol−1
Heat of Formation -183.5 ± 16.7 kJ·mol−1
Dipole Moment 4.45 ± 1.08 D
Volume 261.62 Å 3
Surface Area 232.66 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(benzyl)benzoic acid
  • 2-(phenylmethyl)benzoic acid
  • alpha-phenyl-o-toluic acid
  • benzyl benzoic acid
  • o-benzylbenzoic acid
  • oprea1_592465
  • t5641088
CAS Number(s)
  • 612-35-1
InChIKey FESDHLLVLYZNFY-UHFFFAOYSA-N
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