2-phenacylsulfanylpyridine-3-carboxylic acid
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2-phenacylsulfanylpyridine-3-carboxylic acid
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CAS No:
142221-23-6
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Formula:
C14H11NO3S
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Chemical Name:
2-phenacylsulfanylpyridine-3-carboxylic acid
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Synonyms:
142221-23-6;2-[(2-OXO-2-PHENYLETHYL)THIO]NICOTINIC ACID;2-((2-oxo-2-phenylethyl)thio)nicotinic acid;2-phenacylsulfanylpyridine-3-carboxylic acid;2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carboxylic acid;MLS000107107;ChemDiv1_015437;CHEMBL1346729;SCHEMBL14398428;HMS630N15;DTXSID10365894;HMS2501P15;ZINC2451124;MFCD00791575;STK398622;AKOS000805803;CCG-200142;MCULE-7860628366;BS-35718;ML099, >=98% (HPLC);SMR000111479;2-(2-oxo-2-phenylethylthio)nicotinic acid;DB-028368;FT-0767121;ST45174975;2-(2-Oxo-2-phenylethylsulfanyl)nicotinic acid;W-7616;SR-01000575233;SR-01000575233-1;2-(2-oxo-2-phenylethylthio)pyridine-3-carboxylic acid;F0131-0038
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CAS No:
2-phenacylsulfanylpyridine-3-carboxylic acid Basic Attributes
273.31 g/mol
273.04596439 g/mol
DTXSID10365894
Computed Properties
Molecular Weight:273.31
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:273.04596439
Monoisotopic Mass:273.04596439
Topological Polar Surface Area:92.6
Heavy Atom Count:19
Complexity:329
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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