1H-Pyrazole-3-carboxylic acid, 4-[3-[4-(dimethylamino)phenyl]-2-propen-1-ylidene]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, ammonium salt (1:1)
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1H-Pyrazole-3-carboxylic acid, 4-[3-[4-(dimethylamino)phenyl]-2-propen-1-ylidene]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, ammonium salt (1:1)
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CAS No:
94266-11-2
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Formula:
C21H19N3O6S.H3N
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Chemical Name:
1H-Pyrazole-3-carboxylic acid, 4-[3-[4-(dimethylamino)phenyl]-2-propen-1-ylidene]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, ammonium salt (1:1)
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Synonyms:
1H-Pyrazole-3-carboxylic acid,4-[3-[4-(dimethylamino)phenyl]-2-propen-1-ylidene]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-,ammonium salt (1:1);1H-Pyrazole-3-carboxylic acid,4-[3-[4-(dimethylamino)phenyl]-2-propenylidene]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-,monoammonium salt
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CAS No:
1H-Pyrazole-3-carboxylic acid, 4-[3-[4-(dimethylamino)phenyl]-2-propen-1-ylidene]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, ammonium salt (1:1) Basic Attributes
458.48758
458.126006 g/mol
304-417-1
Computed Properties
Molecular Weight:458.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:458.12600561
Monoisotopic Mass:458.12600561
Topological Polar Surface Area:140
Heavy Atom Count:32
Complexity:873
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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