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3916-64-1

3916-64-1 structural image
Product Name: 2,4-HEPTADIEN-6-ONE
Formula: C7H10O
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1095

COMPUTED DESCRIPTORS

Molecular Weight 110.15 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 110.073164938 g/mol
Monoisotopic Mass 110.073164938 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 120
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes