4-(3-Heptadecyl-4,5-dihydro-4-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonic acid
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4-(3-Heptadecyl-4,5-dihydro-4-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonic acid
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CAS No:
51929-92-1
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Formula:
C27H44N2O4S
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Chemical Name:
4-(3-Heptadecyl-4,5-dihydro-4-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonic acid
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Synonyms:
Benzenesulfonic acid,4-(3-heptadecyl-4,5-dihydro-4-methyl-5-oxo-1H-pyrazol-1-yl)-;Benzenesulfonic acid,p-(3-heptadecyl-4-methyl-5-oxo-2-pyrazolin-1-yl)-;4-(3-Heptadecyl-4,5-dihydro-4-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonic acid
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CAS No:
4-(3-Heptadecyl-4,5-dihydro-4-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonic acid Basic Attributes
492.71400
492.71
257-518-7
2933199090
Computed Properties
Molecular Weight:492.7
XLogP3:9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:18
Exact Mass:492.30217906
Monoisotopic Mass:492.30217906
Topological Polar Surface Area:95.4
Heavy Atom Count:34
Complexity:709
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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