3-Ethyl 4,5-dihydro-1-(4-methyl-2-sulfophenyl)-5-oxo-1H-pyrazole-3-carboxylate
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3-Ethyl 4,5-dihydro-1-(4-methyl-2-sulfophenyl)-5-oxo-1H-pyrazole-3-carboxylate
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CAS No:
83929-42-4
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Formula:
C13H14N2O6S
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Chemical Name:
3-Ethyl 4,5-dihydro-1-(4-methyl-2-sulfophenyl)-5-oxo-1H-pyrazole-3-carboxylate
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Synonyms:
1H-Pyrazole-3-carboxylic acid,4,5-dihydro-1-(4-methyl-2-sulfophenyl)-5-oxo-,3-ethyl ester;3-Ethyl 4,5-dihydro-1-(4-methyl-2-sulfophenyl)-5-oxo-1H-pyrazole-3-carboxylate
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CAS No:
3-Ethyl 4,5-dihydro-1-(4-methyl-2-sulfophenyl)-5-oxo-1H-pyrazole-3-carboxylate Basic Attributes
326.32500
326.33
281-338-8
DTXSID50232819
Computed Properties
Molecular Weight:326.33
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:326.05725734
Monoisotopic Mass:326.05725734
Topological Polar Surface Area:122
Heavy Atom Count:22
Complexity:594
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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