4-Amino-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid
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4-Amino-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid
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CAS No:
2508-84-1
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Formula:
C10H9N3O6S
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Chemical Name:
4-Amino-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid
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Synonyms:
1H-Pyrazole-3-carboxylic acid,4-amino-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-;2-Pyrazoline-3-carboxylic acid,4-amino-5-oxo-1-(p-sulfophenyl)-;4-Amino-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid
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CAS No:
Description
ChEBI: A 4,5-dihydropyrazole having p-sulfophenyl-, carboxy-, amino- and oxo substituents at the 1-, 3-, 4- and 5-positions respectively.
1-(4-sulfophenyl)-3-carboxy-4-amino-5-oxopyrazole is a 4,5-dihydropyrazole having p-sulfophenyl-, carboxy-, amino- and oxo substituents at the 1-, 3-, 4- and 5-positions respectively. It is a member of pyrazoles, a monocarboxylic acid, a sulfonic acid and an amino acid. It derives from an antipyrine.
4-Amino-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid Basic Attributes
299.25996
299.26
219-721-9
2933199090
Computed Properties
Molecular Weight:299.26
XLogP3:-2.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:299.02120619
Monoisotopic Mass:299.02120619
Topological Polar Surface Area:159
Heavy Atom Count:20
Complexity:558
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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