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10250-45-0

10250-45-0 structural image
Product Name: 3-methyl-1-isobutylbutyl acetate
Formula: C11H22O2
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1092

COMPUTED DESCRIPTORS

Molecular Weight 186.29 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 6
Exact Mass 186.161979940 g/mol
Monoisotopic Mass 186.161979940 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 140
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

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