[2-(3,4-dimethylanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
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![[2-(3,4-dimethylanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/fc58b47da6f94bac8843ff045b3fe86f.png "[2-(3,4-dimethylanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate")
[2-(3,4-dimethylanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
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CAS No:
554427-12-2
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Formula:
C16H16N2O4
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Chemical Name:
[2-(3,4-dimethylanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
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Synonyms:
ZINC3361805;AKOS033647462;AB00719622-01;SR-01000043599;SR-01000043599-1;Z18882791;4-({[(3,4-dimethylphenyl)carbamoyl]methoxy}carbonyl)pyridin-1-ium-1-olate;554427-12-2
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CAS No:
[2-(3,4-dimethylanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Basic Attributes
300.31 g/mol
300.11100700 g/mol
Computed Properties
Molecular Weight:300.31
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:300.11100700
Monoisotopic Mass:300.11100700
Topological Polar Surface Area:80.9
Heavy Atom Count:22
Complexity:394
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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