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32002-78-1

32002-78-1 structural image
Product Name: 2-(PYRIDIN-2-YLTHIO)PROPANOIC ACID
Formula: C8H9NO2S
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COMPUTED DESCRIPTORS

Molecular Weight 183.23 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 183.03539970 g/mol
Monoisotopic Mass 183.03539970 g/mol
Topological Polar Surface Area 75.5 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 163
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