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61516-81-2

61516-81-2 structural image
Product Name: 2-(2,5-DIOXOTETRAHYDRO-1H-PYRROL-1-YL)ACETONITRILE
Formula: C6H6N2O2
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COMPUTED DESCRIPTORS

Molecular Weight 138.12 g/mol
XLogP3 -1.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 138.042927438 g/mol
Monoisotopic Mass 138.042927438 g/mol
Topological Polar Surface Area 61.2 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 209
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