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952183-22-1

952183-22-1 structural image
Product Name: 3-Amino-3-(4-ethylphenyl)acrylonitrile
Formula: C11H12N2
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COMPUTED DESCRIPTORS

Molecular Weight 172.23 g/mol
XLogP3 2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 172.100048391 g/mol
Monoisotopic Mass 172.100048391 g/mol
Topological Polar Surface Area 49.8 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 226
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