[4-oxo-4-(2,4,6-trimethylanilino)butyl] 1-oxidopyridin-1-ium-4-carboxylate
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![[4-oxo-4-(2,4,6-trimethylanilino)butyl] 1-oxidopyridin-1-ium-4-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/30b5f60d7fc54932b3dbc6b908030234.png "[4-oxo-4-(2,4,6-trimethylanilino)butyl] 1-oxidopyridin-1-ium-4-carboxylate")
[4-oxo-4-(2,4,6-trimethylanilino)butyl] 1-oxidopyridin-1-ium-4-carboxylate
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CAS No:
750602-21-2
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Formula:
C19H22N2O4
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Chemical Name:
[4-oxo-4-(2,4,6-trimethylanilino)butyl] 1-oxidopyridin-1-ium-4-carboxylate
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Synonyms:
ZINC2651700;AKOS034439708;SR-01000053011;SR-01000053011-1;Z54195552;4-({3-[(2,4,6-trimethylphenyl)carbamoyl]propoxy}carbonyl)pyridin-1-ium-1-olate;750602-21-2
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CAS No:
[4-oxo-4-(2,4,6-trimethylanilino)butyl] 1-oxidopyridin-1-ium-4-carboxylate Basic Attributes
342.4 g/mol
342.15795719 g/mol
Computed Properties
Molecular Weight:342.4
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:342.15795719
Monoisotopic Mass:342.15795719
Topological Polar Surface Area:80.9
Heavy Atom Count:25
Complexity:437
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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