4-[(1-oxidopyridin-1-ium-3-carbonyl)amino]benzoic acid
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![4-[(1-oxidopyridin-1-ium-3-carbonyl)amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5191fb107d164700b29744e2d6992be3.png "4-[(1-oxidopyridin-1-ium-3-carbonyl)amino]benzoic acid")
4-[(1-oxidopyridin-1-ium-3-carbonyl)amino]benzoic acid
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CAS No:
62833-97-0
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Formula:
C13H10N2O4
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Chemical Name:
4-[(1-oxidopyridin-1-ium-3-carbonyl)amino]benzoic acid
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Synonyms:
N-(4-Carboxyphenyl)nicotinamide 1-oxide; HMS1404O11; 4-((3-Pyridinylcarbonyl)amino)benzoic acid N-oxide; Benzoic acid,p-nicotinamido-,1'-oxide; BENZOIC ACID,4-((3-PYRIDINYLCARBONYL)AMINO)-,N-OXIDE; Nicotinamide,N-(p-carboxyphenyl)-,1-oxide;Expand
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CAS No:
4-[(1-oxidopyridin-1-ium-3-carbonyl)amino]benzoic acid Basic Attributes
258.22900
258.06405680 g/mol
DTXSID20212007
2933399090
Computed Properties
Molecular Weight:258.23
XLogP3:0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:258.06405680
Monoisotopic Mass:258.06405680
Topological Polar Surface Area:91.9
Heavy Atom Count:19
Complexity:340
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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