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317842-48-1

317842-48-1 structural image
Product Name: Carbamic acid, (4-ethynylphenyl)-, 1,1-dimethylethyl ester (9CI)
Formula: C13H15NO2
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COMPUTED DESCRIPTORS

Molecular Weight 217.26 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 217.110278721 g/mol
Monoisotopic Mass 217.110278721 g/mol
Topological Polar Surface Area 38.3 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 287
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