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34627-78-6

34627-78-6 structural image
Product Name: 1'-acetoxysafrole
Formula: C12H12O4
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COMPUTED DESCRIPTORS

Molecular Weight 220.22 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 220.07355886 g/mol
Monoisotopic Mass 220.07355886 g/mol
Topological Polar Surface Area 44.8 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 276
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 Yes