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53090-45-2

53090-45-2 structural image
Product Name: BETA-OXO-4-(PHENYLMETHOXY)-BENZENEPROPANOIC ACID ETHYL ESTER
Formula: C18H18O4
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COMPUTED DESCRIPTORS

Molecular Weight 298.3 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 8
Exact Mass 298.12050905 g/mol
Monoisotopic Mass 298.12050905 g/mol
Topological Polar Surface Area 52.6 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 352
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