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2801-78-7

2801-78-7 structural image
Product Name: Hexanoic acid, 5-chloro-4-oxo-
Formula: C6H9ClO3
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COMPUTED DESCRIPTORS

Molecular Weight 164.59 g/mol
XLogP3 0.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 164.0240218 g/mol
Monoisotopic Mass 164.0240218 g/mol
Topological Polar Surface Area 54.4 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 144
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