1-benzylpyridin-1-ium-3-carboxylic acid
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1-benzylpyridin-1-ium-3-carboxylic acid
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CAS No:
16183-84-9
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Formula:
C13H12NO2+
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Chemical Name:
1-benzylpyridin-1-ium-3-carboxylic acid
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Synonyms:
1-benzyl-3-carboxypyridinium;1-benzylpyridin-1-ium-3-carboxylic acid;3-Carboxy-1-benzylpyridinium;SCHEMBL125500;DTXSID80275815;ZINC1871889;3-Carboxylato-1-(phenylmethyl)pyridinium;16183-84-9;990B439
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CAS No:
1-benzylpyridin-1-ium-3-carboxylic acid Basic Attributes
214.24 g/mol
214.086803626 g/mol
DTXSID80275815
Computed Properties
Molecular Weight:214.24
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:214.086803626
Monoisotopic Mass:214.086803626
Topological Polar Surface Area:41.2
Heavy Atom Count:16
Formal Charge:1
Complexity:236
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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