3-Biphenylcarboxylic Acid

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Properties Simple | Detailed

Formula C13H10O2
IUPAC Name 3-phenylbenzoic acid
Molecular Mass 198.217 g·mol−1
Heat of Formation -180.7 ± 16.7 kJ·mol−1
Dipole Moment 2.34 ± 1.08 D
Volume 238.66 Å 3
Surface Area 229.53 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry Cs
Synonyms
  • (1,1'-biphenyl)-3-carboxylic acid
  • (1,1'-biphenyl)-3-carboxylic acid (9ci)
  • [1,1'-biphenyl]-3-carboxylic acid
  • ae-641/02442054
  • biphenyl-3-carboxylic acid
  • bm082
  • diphenyl-3-carboxylic acid
CAS Number(s)
  • 716-76-7
InChIKey XNLWJFYYOIRPIO-UHFFFAOYSA-N
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Elements H C O