3-Acetyl-2,5-dihydro-4-hydroxy-2-[4-(1-methylethyl)phenyl]-5-oxo-1H-pyrrole-1-propanoic acid
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![3-Acetyl-2,5-dihydro-4-hydroxy-2-[4-(1-methylethyl)phenyl]-5-oxo-1H-pyrrole-1-propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5044499b1b1743e4a87c0754ecf707a8.png "3-Acetyl-2,5-dihydro-4-hydroxy-2-[4-(1-methylethyl)phenyl]-5-oxo-1H-pyrrole-1-propanoic acid")
3-Acetyl-2,5-dihydro-4-hydroxy-2-[4-(1-methylethyl)phenyl]-5-oxo-1H-pyrrole-1-propanoic acid
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CAS No:
436088-35-6
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Formula:
C18H21NO5
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Chemical Name:
3-Acetyl-2,5-dihydro-4-hydroxy-2-[4-(1-methylethyl)phenyl]-5-oxo-1H-pyrrole-1-propanoic acid
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Synonyms:
1H-Pyrrole-1-propanoic acid,3-acetyl-2,5-dihydro-4-hydroxy-2-[4-(1-methylethyl)phenyl]-5-oxo-;3-Acetyl-2,5-dihydro-4-hydroxy-2-[4-(1-methylethyl)phenyl]-5-oxo-1H-pyrrole-1-propanoic acid
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CAS No:
3-Acetyl-2,5-dihydro-4-hydroxy-2-[4-(1-methylethyl)phenyl]-5-oxo-1H-pyrrole-1-propanoic acid Basic Attributes
331.36
331.36
DTXSID60389727
2933990090
Computed Properties
Molecular Weight:331.4
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:331.14197277
Monoisotopic Mass:331.14197277
Topological Polar Surface Area:94.9
Heavy Atom Count:24
Complexity:558
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Acetyl-2,5-dihydro-4-hydroxy-2-[4-(1-methylethyl)phenyl]-5-oxo-1H-pyrrole-1-propanoic acid
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