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100638-02-6

100638-02-6 structural image
Product Name: 2-[(3-NITRO-2-PYRIDYL)THIO]PROPANOIC ACID
Formula: C8H8N2O4S
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COMPUTED DESCRIPTORS

Molecular Weight 228.23 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 228.02047791 g/mol
Monoisotopic Mass 228.02047791 g/mol
Topological Polar Surface Area 121 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 256
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

PRODUCT INTRODUCTION

description

2-[(3-nitro-2-pyridyl)thio]propanoic acid is an aryl sulfide.