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4505-38-8

4505-38-8 structural image
Product Name: 2-Cyclohexene-1,4-dione
Formula: C6H6O2
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1032 1024 1031 1044

COMPUTED DESCRIPTORS

Molecular Weight 110.11 g/mol
XLogP3 -0.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 110.036779430 g/mol
Monoisotopic Mass 110.036779430 g/mol
Topological Polar Surface Area 34.1 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 138
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