4,5-Dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-acetic acid
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4,5-Dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-acetic acid
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CAS No:
71872-96-3
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Formula:
C11H10N2O6S
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Chemical Name:
4,5-Dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-acetic acid
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Synonyms:
1H-Pyrazole-3-acetic acid,4,5-dihydro-5-oxo-1-(4-sulfophenyl)-;4,5-Dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-acetic acid
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CAS No:
4,5-Dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-acetic acid Basic Attributes
298.27200
298.27
276-105-2
Computed Properties
Molecular Weight:298.27
XLogP3:-0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:298.02595722
Monoisotopic Mass:298.02595722
Topological Polar Surface Area:133
Heavy Atom Count:20
Complexity:542
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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