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1397243-57-0

1397243-57-0 structural image
Product Name: 3-(tert-butoxycarbonylamino)-2-cyanobenzoic acid
Formula: C13H14N2O4
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COMPUTED DESCRIPTORS

Molecular Weight 262.26 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 262.09535693 g/mol
Monoisotopic Mass 262.09535693 g/mol
Topological Polar Surface Area 99.4 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 405
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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