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138139-82-9

138139-82-9 structural image
Product Name: (E)-6,6-DiMethyl-2-hepten-4-ynal
Formula: C9H12O
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COMPUTED DESCRIPTORS

Molecular Weight 136.19 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 136.088815002 g/mol
Monoisotopic Mass 136.088815002 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 192
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes