3-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid
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![3-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e3b02375fee942fbb3a394c89b6eff75.png "3-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid")
3-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid
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CAS No:
439126-38-2
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Formula:
C11H16N2O4S
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Chemical Name:
3-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid
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Synonyms:
3-(5-Butyl-4-hydroxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-propionic acid;ChemDiv3_001171;Oprea1_376554;MLS000123032;CHEMBL1393546;HMS1476F05;ZINC8580286;STK601315;AKOS000567321;AKOS005538004;CCG-105844;MCULE-4346819074;IDI1_020137;SMR000123632;ST50301729;SR-01000425274;SR-01000425274-1;BRD-K90256478-001-01-5;3-[(5-butyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]propanoic acid;3-(5-butyl-6-hydroxy-4-oxo-3-hydropyrimidin-2-ylthio)propanoic acid;439126-38-2
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CAS No:
3-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Basic Attributes
272.32 g/mol
272.08307817 g/mol
Computed Properties
Molecular Weight:272.32
XLogP3:1.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:272.08307817
Monoisotopic Mass:272.08307817
Topological Polar Surface Area:124
Heavy Atom Count:18
Complexity:404
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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