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3968-85-2

3968-85-2 structural image
Product Name: (2-METHYLBUTYL)BENZENE
Formula: C11H16
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1100.7 1102.1 1105 1102 1102 1111 1109 1139.2 1105 1102

COMPUTED DESCRIPTORS

Molecular Weight 148.24 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 3
Exact Mass 148.125200510 g/mol
Monoisotopic Mass 148.125200510 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 90.2
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes