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6790-27-8

6790-27-8 structural image
Product Name: 3-DODECYNE
Formula: C12H22
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1238

COMPUTED DESCRIPTORS

Molecular Weight 166.30 g/mol
XLogP3 5.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 6
Exact Mass 166.172150702 g/mol
Monoisotopic Mass 166.172150702 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 133
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