4-(3-benzoyl-4-hydroxy-2-{4-nitrophenyl}-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid
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4-(3-benzoyl-4-hydroxy-2-{4-nitrophenyl}-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid
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CAS No:
309922-43-8
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Formula:
C21H18N2O7
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Chemical Name:
4-(3-benzoyl-4-hydroxy-2-{4-nitrophenyl}-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid
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Synonyms:
5961-32-0;CBMicro_038986;Oprea1_026336;Oprea1_082988;STK559985;STK762886;AKOS000566634;AKOS005485795;AKOS024305215;MCULE-9243941147
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CAS No:
4-(3-benzoyl-4-hydroxy-2-{4-nitrophenyl}-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid Basic Attributes
410.37682
410.111
Computed Properties
Molecular Weight:410.4
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:410.11140092
Monoisotopic Mass:410.11140092
Topological Polar Surface Area:141
Heavy Atom Count:30
Complexity:728
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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