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2955-65-9

2955-65-9 structural image
Product Name: 3,6-OCTANDIONE
Formula: C8H14O2
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1638

COMPUTED DESCRIPTORS

Molecular Weight 142.20 g/mol
XLogP3 0.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 5
Exact Mass 142.099379685 g/mol
Monoisotopic Mass 142.099379685 g/mol
Topological Polar Surface Area 34.1 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 111
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