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159448-56-3

159448-56-3 structural image
Product Name: 2-(5-METHYL-FURAN-2-YL)-BENZOIC ACID METHYL ESTER
Formula: C13H12O3
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COMPUTED DESCRIPTORS

Molecular Weight 216.23 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 216.078644241 g/mol
Monoisotopic Mass 216.078644241 g/mol
Topological Polar Surface Area 39.4 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 252
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