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111317-19-2

111317-19-2 structural image
Product Name: 5,7-DIMETHYL-3,5,9-DECATRIEN-2-ONE, TECH ., 85
Formula: C12H18O
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COMPUTED DESCRIPTORS

Molecular Weight 178.27 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 5
Exact Mass 178.135765193 g/mol
Monoisotopic Mass 178.135765193 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 234
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes