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Homecas1378570-06-9

1378570-06-9

1378570-06-9 structural image
Product Name: Alanine, 3-cyano-, methyl ester
Formula: C5H8N2O2
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COMPUTED DESCRIPTORS

Molecular Weight 128.13 g/mol
XLogP3 -1.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 128.058577502 g/mol
Monoisotopic Mass 128.058577502 g/mol
Topological Polar Surface Area 76.1 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 146
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes