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
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Synonyms
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- 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
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CAS Number(s) |
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InChIKey |
ODLDHXPJRGNTPC-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
O
N
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