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Homecas906552-00-9

906552-00-9

906552-00-9 structural image
Product Name: 2-Propenoic acid, 3-(2-nitrophenyl)-, 1,1-dimethylethyl ester, (2E)-
Formula: C13H15NO4
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COMPUTED DESCRIPTORS

Molecular Weight 249.26 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 249.10010796 g/mol
Monoisotopic Mass 249.10010796 g/mol
Topological Polar Surface Area 72.1 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 338
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes