3-[[(5E)-5-[(3-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid
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![3-[[(5E)-5-[(3-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9253cca9268d452da0b7149825815e47.png "3-[[(5E)-5-[(3-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid")
3-[[(5E)-5-[(3-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid
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CAS No:
488103-71-5
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Formula:
C18H12N2O6S
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Chemical Name:
3-[[(5E)-5-[(3-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid
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Synonyms:
MLS000806903;CHEMBL1466466;CHEBI:116567;HMS2751I14;488103-71-5;ZINC4898889;AKOS002229247;SMR000414704;ST50100768;AT-057/40872509;3-({5-[(3-nitrophenyl)methylene]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid;3-[(5-{3-nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic acid;3-{5-[1-(3-Nitro-phenyl)-meth-(E)-ylidene]-2,4-dioxo-thiazolidin-3-ylmethyl}-benzoic acid
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CAS No:
Description
3-[[5-[(3-nitrophenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]methyl]benzoic acid is a C-nitro compound.
3-[[(5E)-5-[(3-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid Basic Attributes
384.4 g/mol
384.04160728 g/mol
Computed Properties
Molecular Weight:384.4
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:384.04160728
Monoisotopic Mass:384.04160728
Topological Polar Surface Area:146
Heavy Atom Count:27
Complexity:673
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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