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431974-60-6

431974-60-6 structural image
Product Name: 5,6-Heptadien-2-one, 4-methoxy- (9CI)
Formula: C8H12O2
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COMPUTED DESCRIPTORS

Molecular Weight 140.18 g/mol
XLogP3 0
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 140.083729621 g/mol
Monoisotopic Mass 140.083729621 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 155
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized No