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114095-72-6

114095-72-6 structural image
Product Name: ACETIC ACID 1-(3-METHOXY-PHENYL)-BUT-3-ENYL ESTER
Formula: C13H16O3
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COMPUTED DESCRIPTORS

Molecular Weight 220.26 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 6
Exact Mass 220.109944368 g/mol
Monoisotopic Mass 220.109944368 g/mol
Topological Polar Surface Area 35.5 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 237
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