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36440-58-1

36440-58-1 structural image
Product Name: 4-(3,5-DIMETHYLPHENYL)-4-OXOBUTYRIC ACID
Formula: C12H14O3
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COMPUTED DESCRIPTORS

Molecular Weight 206.24 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 206.094294304 g/mol
Monoisotopic Mass 206.094294304 g/mol
Topological Polar Surface Area 54.4 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 237
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