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4-[(2-Isopropylphenyl)Amino]-4-Oxobutanoic Acid
[CAS# 448250-78-0]

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Identification
Name 4-[(2-Isopropylphenyl)Amino]-4-Oxobutanoic Acid
Synonyms 4-(2-isopropylanilino)-4-oxobutanoic acid; 4-oxo-4-{[2-(propan-2-yl)phenyl]amino}butanoic acid; MFCD01034361
Molecular Structure CAS#: 448250-78-0, 4-[(2-Isopropylphenyl)Amino]-4-Oxobutanoic Acid
Molecular Formula C13H17NO3
Molecular Weight 235.28
CAS Registry Number 448250-78-0
SMILES O=C(Nc1ccccc1C(C)C)CCC(=O)O
InChI 1S/C13H17NO3/c1-9(2)10-5-3-4-6-11(10)14-12(15)7-8-13(16)17/h3-6,9H,7-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKey JXJXZYKBWQRTIO-UHFFFAOYSA-N
Properties
Density 1.175g/cm3 (Cal.)
Boiling point 454.522°C at 760 mmHg (Cal.)
Flash point 228.687°C (Cal.)
Refractive index 1.568 (Cal.)
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