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42498-33-9

42498-33-9 structural image
Product Name: N-(1,1-Dimethylethyl)-3-methylbenzamide
Formula: C12H17NO
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COMPUTED DESCRIPTORS

Molecular Weight 191.27 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 191.131014166 g/mol
Monoisotopic Mass 191.131014166 g/mol
Topological Polar Surface Area 29.1 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 205
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

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