4-Methyl-3-Nitrobenzoic Acid

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Properties Simple | Detailed

Formula C8H7NO4
IUPAC Name 4-methyl-3-nitro-benzoic acid
Molecular Mass 181.145 g·mol−1
Heat of Formation -329.6 ± 16.7 kJ·mol−1
Dipole Moment 5.52 ± 1.08 D
Volume 196.86 Å 3
Surface Area 193.18 Å 2
HOMO Energy -10.70 ± 0.55 eV
LUMO Energy 1.46 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-nitro-4-methylbenzoic acid
  • 3-nitro-p-toluic acid
  • 3-nitro-para-toluic acid
  • benzoic acid, 4-methyl-3-nitro-
  • oprea1_315455
  • p-toluic acid, 3-nitro-
  • p-toluic acid, 3-nitro- (8ci)
CAS Number(s)
  • 96-98-0
InChIKey BBEWSMNRCUXQRF-UHFFFAOYSA-N
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