3-Isopropylsalicylic Acid

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Properties Simple | Detailed

Formula C10H12O3
IUPAC Name 2-hydroxy-3-isopropyl-benzoic acid
Molecular Mass 180.200 g·mol−1
Heat of Formation -568.1 ± 16.7 kJ·mol−1
Dipole Moment 1.97 ± 1.08 D
Volume 216.85 Å 3
Surface Area 208.1 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-hydroxy-3-isopropylbenzoic acid
  • 2-hydroxy-3-propan-2-yl-benzoic acid
  • 2-hydroxy-3-propan-2-ylbenzoic acid
  • salicylic acid, 3-isopropyl-
CAS Number(s)
  • 7053-88-5
InChIKey XGAYQDWZIPRBPF-UHFFFAOYSA-N
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Elements H C O