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113685-85-1

113685-85-1 structural image
Product Name: Pyrazine, 2-pentyl-3-phenoxy-
Formula: C15H18N2O
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1816

COMPUTED DESCRIPTORS

Molecular Weight 242.32 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 6
Exact Mass 242.141913202 g/mol
Monoisotopic Mass 242.141913202 g/mol
Topological Polar Surface Area 35 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 217
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