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19078-97-8

19078-97-8 structural image
Product Name: 2,2-DIMETHYL-3-HEPTANONE
Formula: C9H18O
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 964.7 965 963 963 965

COMPUTED DESCRIPTORS

Molecular Weight 142.24 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 4
Exact Mass 142.135765193 g/mol
Monoisotopic Mass 142.135765193 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 108
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