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22047-27-4

22047-27-4 structural image
Product Name: Ethanone, 1-(5-methylpyrazinyl)-
Formula: C7H8N2O
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1088 1088 1080 1080 1093 1093 1093 1099.5

COMPUTED DESCRIPTORS

Molecular Weight 136.15 g/mol
XLogP3 0.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 136.063662883 g/mol
Monoisotopic Mass 136.063662883 g/mol
Topological Polar Surface Area 42.8 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 136
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