4-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)benzoic acid
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4-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)benzoic acid
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CAS No:
66442-94-2
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Formula:
C21H18N3O2+
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Chemical Name:
4-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)benzoic acid
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Synonyms:
3,8-diamino-6-(4-carboxyphenyl)-5-methylphenanthridinium;carboxydimidium;carboxydimidium chloride;carboxydimidium hydroxide, inner salt;Carboxydimidium;66442-94-2;SCHEMBL15432842;DTXSID00216669;ZINC404780;3,8-Diamino-6-(4-carboxyphenyl)-5-methylphenanthridinium;3,8-Diamino-5-methyl-6-(4-carboxyphenyl)phenanthridine-5-ium;Phenanthridinium, 3,8-diamino-6-(4-carboxyphenyl)-5-methyl-
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CAS No:
4-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)benzoic acid Basic Attributes
344.4 g/mol
344.139901825 g/mol
DTXSID00216669
Computed Properties
Molecular Weight:344.4
XLogP3:3.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:344.139901825
Monoisotopic Mass:344.139901825
Topological Polar Surface Area:93.2
Heavy Atom Count:26
Formal Charge:1
Complexity:519
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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