Pentamethylbenzoic Acid

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Properties Simple | Detailed

Formula C12H16O2
IUPAC Name 2,3,4,5,6-pentamethylbenzoic acid
Molecular Mass 192.254 g·mol−1
Heat of Formation -445.0 ± 16.7 kJ·mol−1
Dipole Moment 2.71 ± 1.08 D
Volume 245.97 Å 3
Surface Area 226.15 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
Synonyms
  • benzoic acid, pentamethyl-
CAS Number(s)
  • 2243-32-5
InChIKey MNLKGWIYXCKWBU-UHFFFAOYSA-N
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Elements H C O