3-Ethyl 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylate
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3-Ethyl 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylate
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CAS No:
6402-06-8
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Formula:
C12H12N2O6S
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Chemical Name:
3-Ethyl 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylate
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Synonyms:
1H-Pyrazole-3-carboxylic acid,4,5-dihydro-5-oxo-1-(4-sulfophenyl)-,3-ethyl ester;2-Pyrazoline-3-carboxylic acid,5-oxo-1-(p-sulfophenyl)-,ethyl ester;2-Pyrazoline-3-carboxylic acid,5-oxo-1-(p-sulfophenyl)-,3-ethyl ester;3-Ethyl 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylate
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CAS No:
3-Ethyl 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylate Basic Attributes
312.29848
312.30
229-016-8
DTXSID2064311
2933199090
3-Ethyl 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylate Use and Manufacturing
1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, 3-ethyl ester: INACTIVE
Computed Properties
Molecular Weight:312.30
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:312.04160728
Monoisotopic Mass:312.04160728
Topological Polar Surface Area:122
Heavy Atom Count:21
Complexity:557
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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