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68641-16-7

68641-16-7 structural image
Product Name: 4-BENZYLOXYPHENYLACETIC ACID METHYL ESTER
Formula: C16H16O3
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 2075.3 2091.1

COMPUTED DESCRIPTORS

Molecular Weight 256.30 g/mol
XLogP3 3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 6
Exact Mass 256.109944368 g/mol
Monoisotopic Mass 256.109944368 g/mol
Topological Polar Surface Area 35.5 Ų
Heavy Atom Count 19
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