{[4-(4-Hydroxy-3-Isopropylphenoxy)-3,5-Dimethylphenyl]Amino}(Oxo)Acetic Acid

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Properties Simple | Detailed

Formula C19H21NO5
IUPAC Name 2-[4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-anilino]-2-oxo-acetic acid
Molecular Mass 343.374 g·mol−1
Heat of Formation -786.3 ± 16.7 kJ·mol−1
Dipole Moment 1.70 ± 1.08 D
Volume 413.45 Å 3
Surface Area 350.11 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-phenyl]amino]-2-keto-acetic acid
  • 2-[[4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-phenyl]amino]-2-oxo-acetic acid
  • 2-[[4-(4-hydroxy-3-isopropylphenoxy)-3,5-dimethylphenyl]amino]-2-oxoacetic acid
  • 2-[[4-(4-hydroxy-3-propan-2-yl-phenoxy)-3,5-dimethyl-phenyl]amino]-2-oxo-ethanoic acid
  • 2-[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]amino]-2-oxoacetic acid
InChIKey UOJMJBUYXYEPFX-UHFFFAOYSA-N
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