Terephthalic Acid Isopropylamide

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Properties Simple | Detailed

Formula C11H13NO3
IUPAC Name 4-(isopropylcarbamoyl)benzoic acid
Molecular Mass 207.226 g·mol−1
Heat of Formation -516.7 ± 16.7 kJ·mol−1
Dipole Moment 3.28 ± 1.08 D
Volume 254.69 Å 3
Surface Area 244.65 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(((1-methylethyl)amino)carbonyl)benzoic acid
  • 4-(propan-2-ylcarbamoyl)benzoic acid
  • 4-[(isopropylamino)-oxomethyl]benzoic acid
  • benzoic acid, 4-(((1-methylethyl)amino)carbonyl)- (9ci)
  • n-isopropyl terephthalamic acid
  • n-isopropylterephthalamic acid
  • terephthalamic acid, n-isopropyl-
CAS Number(s)
  • 779-47-5
InChIKey PRCGIFCKPACTDG-UHFFFAOYSA-N
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