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53566-37-3

53566-37-3 structural image
Product Name: 5-METHYL-2-HEXYNE
Formula: C7H12
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 701

COMPUTED DESCRIPTORS

Molecular Weight 96.17 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 1
Exact Mass 96.093900383 g/mol
Monoisotopic Mass 96.093900383 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 87.1
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