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5411-55-2

5411-55-2 structural image
Product Name: Acetic acid, chloro-, pentyl ester
Formula: C7H13ClO2
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1086 1086 1089 1096 1097 1106 1106 1100.2

COMPUTED DESCRIPTORS

Molecular Weight 164.63 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 6
Exact Mass 164.0604073 g/mol
Monoisotopic Mass 164.0604073 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 93.6
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