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885121-98-2

885121-98-2 structural image
Product Name: 2-[1-DIMETHYLAMINO-METH-(E)-YLIDENE]-3-OXO-BUTYRONITRILE
Formula: C7H10N2O
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COMPUTED DESCRIPTORS

Molecular Weight 138.17 g/mol
XLogP3 0.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 138.079312947 g/mol
Monoisotopic Mass 138.079312947 g/mol
Topological Polar Surface Area 44.1 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 207
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