3-Isopropylbenzoic Acid

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Properties Simple | Detailed

Formula C10H12O2
IUPAC Name 3-isopropylbenzoic acid
Molecular Mass 164.201 g·mol−1
Heat of Formation -359.7 ± 16.7 kJ·mol−1
Dipole Moment 2.26 ± 1.08 D
Volume 208.91 Å 3
Surface Area 203.81 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy 2.37 ± eV
Point Group Symmetry C1
Synonyms
  • 3-propan-2-ylbenzoic acid
  • ae-562/43286917
  • benzoic acid, 3-(1-methylethyl)-
CAS Number(s)
  • 5651-47-8
InChIKey DLYVSJDCQZVKMD-UHFFFAOYSA-N
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