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Homecas1820612-90-5

1820612-90-5

1820612-90-5 structural image
Product Name: Benzoic acid, 4-(5-methoxy-3-pyridinyl)-, methyl ester
Formula: C14H13NO3
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COMPUTED DESCRIPTORS

Molecular Weight 243.26 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 243.08954328 g/mol
Monoisotopic Mass 243.08954328 g/mol
Topological Polar Surface Area 48.4 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 274
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