[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-oxidopyridin-1-ium-4-carboxylate
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[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-oxidopyridin-1-ium-4-carboxylate
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CAS No:
749872-58-0
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Formula:
C12H10N2O4
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Chemical Name:
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-oxidopyridin-1-ium-4-carboxylate
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Synonyms:
ZINC2644111;AKOS033647415;SR-01000052384;SR-01000052384-1;Z18882334;4-{[2-oxo-2-(1H-pyrrol-2-yl)ethoxy]carbonyl}pyridin-1-ium-1-olate;749872-58-0
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CAS No:
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-oxidopyridin-1-ium-4-carboxylate Basic Attributes
246.22 g/mol
246.06405680 g/mol
Computed Properties
Molecular Weight:246.22
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:246.06405680
Monoisotopic Mass:246.06405680
Topological Polar Surface Area:84.6
Heavy Atom Count:18
Complexity:313
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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