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Home >> Chemical Listing >> Page 2185 >> 3-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1H-pyrrol-2-yl)benzoic acid

3-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1H-pyrrol-2-yl)benzoic acid
[CAS# 669713-97-7]

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Identification
Name 3-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1H-pyrrol-2-yl)benzoic acid
Synonyms 2-(3-Carboxy-phenyl)-pyrrole-1-carboxylic acid tert-butyl ester; 3-(2'-N-Boc-pyrrole)benzoic acid
Molecular Structure CAS#: 669713-97-7, 3-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1H-pyrrol-2-yl)benzoic acid
Molecular Formula C16H17NO4
Molecular Weight 287.31
CAS Registry Number 669713-97-7
SMILES O=C(O)c2cccc(c1cccn1C(=O)OC(C)(C)C)c2
InChI 1S/C16H17NO4/c1-16(2,3)21-15(20)17-9-5-8-13(17)11-6-4-7-12(10-11)14(18)19/h4-10H,1-3H3,(H,18,19)
InChIKey NHZAONBMGJNOGP-UHFFFAOYSA-N
Properties
Density 1.172g/cm3 (Cal.)
Boiling point 469.591°C at 760 mmHg (Cal.)
Flash point 237.801°C (Cal.)
Refractive index 1.558 (Cal.)
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