3-[(3-acetylsulfanyl-2-methylpropanoyl)amino]pyridine-2-carboxylic acid
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![3-[(3-acetylsulfanyl-2-methylpropanoyl)amino]pyridine-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/632e5860ae5343dabb0aca188abd41f8.png "3-[(3-acetylsulfanyl-2-methylpropanoyl)amino]pyridine-2-carboxylic acid")
3-[(3-acetylsulfanyl-2-methylpropanoyl)amino]pyridine-2-carboxylic acid
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CAS No:
100637-33-0
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Formula:
C12H14N2O4S
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Chemical Name:
3-[(3-acetylsulfanyl-2-methylpropanoyl)amino]pyridine-2-carboxylic acid
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CAS No:
3-[(3-acetylsulfanyl-2-methylpropanoyl)amino]pyridine-2-carboxylic acid Basic Attributes
282.31600
282.06742811
Computed Properties
Molecular Weight:282.32
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:282.06742811
Monoisotopic Mass:282.06742811
Topological Polar Surface Area:122
Heavy Atom Count:19
Complexity:362
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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