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898751-69-4

898751-69-4 structural image
Product Name: ETHYL 4-(3,5-DIMETHYLPHENYL)-4-OXOBUTYRATE
Formula: C14H18O3
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COMPUTED DESCRIPTORS

Molecular Weight 234.29 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 6
Exact Mass 234.125594432 g/mol
Monoisotopic Mass 234.125594432 g/mol
Topological Polar Surface Area 43.4 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 263
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