3-Toluic Acid

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Properties Simple | Detailed

Formula C8H8O2
IUPAC Name 3-methylbenzoic acid
Molecular Mass 136.148 g·mol−1
Heat of Formation -317.1 ± 16.7 kJ·mol−1
Dipole Moment 2.42 ± 1.08 D
Volume 165.05 Å 3
Surface Area 170.0 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy 2.34 ± eV
Point Group Symmetry C1
Synonyms
  • ab-131/40222909
  • benzoic acid, 3-methyl-
  • benzoic acid,3-methyl
  • beta-bethylbenzoic acid
  • beta-methylbenzoic acid
  • m-methylbenzoic acid
  • m-toluic acid
  • m-toluylic acid
  • meta-toluic acid
CAS Number(s)
  • 68092-47-7
  • 99-04-7
InChIKey GPSDUZXPYCFOSQ-UHFFFAOYSA-N
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