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847227-46-7

847227-46-7 structural image
Product Name: 4-CYANOMANDELIC ACID ETHYL ESTER
Formula: C11H11NO3
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COMPUTED DESCRIPTORS

Molecular Weight 205.21 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 205.07389321 g/mol
Monoisotopic Mass 205.07389321 g/mol
Topological Polar Surface Area 70.3 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 260
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