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550312-50-0

550312-50-0 structural image
Product Name: Butanoic acid, 4-[(3-ethylphenyl)amino]-4-oxo- (9CI)
Formula: C12H15NO3
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COMPUTED DESCRIPTORS

Molecular Weight 221.25 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 221.10519334 g/mol
Monoisotopic Mass 221.10519334 g/mol
Topological Polar Surface Area 66.4 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 253
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes