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4181-97-9

4181-97-9 structural image
Product Name: 4-METHOXY-BENZOIC ACID PHENYL ESTER
Formula: C14H12O3
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1905.9

COMPUTED DESCRIPTORS

Molecular Weight 228.24 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 228.078644241 g/mol
Monoisotopic Mass 228.078644241 g/mol
Topological Polar Surface Area 35.5 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 238
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