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67945-22-6

67945-22-6 structural image
Product Name: TRANS-DIETHYL CARONATE
Formula: C11H18O4
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COMPUTED DESCRIPTORS

Molecular Weight 214.26 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 6
Exact Mass 214.12050905 g/mol
Monoisotopic Mass 214.12050905 g/mol
Topological Polar Surface Area 52.6 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 244
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes