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123257-07-8

123257-07-8 structural image
Product Name: 1H-Pyrrole-2-carboxylicacid,1-(cyanomethyl)-,methylester(9CI)
Formula: C8H8N2O2
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COMPUTED DESCRIPTORS

Molecular Weight 164.16 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 164.058577502 g/mol
Monoisotopic Mass 164.058577502 g/mol
Topological Polar Surface Area 55 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 218
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