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6196-58-3

6196-58-3 structural image
Product Name: C5E1
Formula: C7H16O2
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 983.1

COMPUTED DESCRIPTORS

Molecular Weight 132.20 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 6
Exact Mass 132.115029749 g/mol
Monoisotopic Mass 132.115029749 g/mol
Topological Polar Surface Area 29.5 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 46.2
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