4-[(E)-2-carboxy-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]ethenyl]benzoic acid
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![4-[(E)-2-carboxy-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]ethenyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/461130621fe94d1585b41b8c90a51c80.png "4-[(E)-2-carboxy-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]ethenyl]benzoic acid")
4-[(E)-2-carboxy-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]ethenyl]benzoic acid
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CAS No:
896829-79-1
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Formula:
C14H12N2O5S
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Chemical Name:
4-[(E)-2-carboxy-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]ethenyl]benzoic acid
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Synonyms:
ZINC6191794;STK708183;AKOS005522426;4-{(E)-2-carboxy-2-[(4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]ethenyl}benzoic acid;896829-79-1
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CAS No:
4-[(E)-2-carboxy-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]ethenyl]benzoic acid Basic Attributes
320.32 g/mol
320.04669266 g/mol
Computed Properties
Molecular Weight:320.32
XLogP3:1.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:320.04669266
Monoisotopic Mass:320.04669266
Topological Polar Surface Area:141
Heavy Atom Count:22
Complexity:535
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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