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149965-78-6

149965-78-6 structural image
Product Name: But-3-ynyl-carbamic acid benzyl ester
Formula: C12H13NO2
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COMPUTED DESCRIPTORS

Molecular Weight 203.24 g/mol
XLogP3 2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 5
Exact Mass 203.094628657 g/mol
Monoisotopic Mass 203.094628657 g/mol
Topological Polar Surface Area 38.3 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 235
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