4-{2-[(4-Isopropylbenzoyl)Amino]Ethoxy}Benzoic Acid

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Properties Simple | Detailed

Formula C19H21NO4
IUPAC Name 4-[2-[(4-isopropylbenzoyl)amino]ethoxy]benzoic acid
Molecular Mass 327.374 g·mol−1
Heat of Formation -605.6 ± 16.7 kJ·mol−1
Dipole Moment 4.33 ± 1.08 D
Volume 402.61 Å 3
Surface Area 362.7 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(2-(4-isopropylbenzamido)ethoxy)benzoic acid
  • 4-[2-[(4-propan-2-ylbenzoyl)amino]ethoxy]benzoic acid
  • 4-[2-[(4-propan-2-ylphenyl)carbonylamino]ethoxy]benzoic acid
  • 4-[2-[[(4-isopropylphenyl)-oxomethyl]amino]ethoxy]benzoic acid
  • benzoic acid, 4-(2-((4-(1-methylethyl)benzoyl)amino)ethoxy)-
  • ns-1
  • oco-1112
  • pbab acid
CAS Number(s)
  • 113079-40-6
InChIKey ODLDHXPJRGNTPC-UHFFFAOYSA-N
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