3-hydroxy-4-(1-oxido-3,4-dihydro-2H-pyrrol-1-ium-2-yl)butanenitrile
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3-hydroxy-4-(1-oxido-3,4-dihydro-2H-pyrrol-1-ium-2-yl)butanenitrile
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CAS No:
70625-15-9
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Formula:
C8H12N2O2
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Chemical Name:
3-hydroxy-4-(1-oxido-3,4-dihydro-2H-pyrrol-1-ium-2-yl)butanenitrile
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Synonyms:
70625-15-9;NSC294059;DTXSID90315332;NSC-294059;3-Hydroxy-4-(1-oxo-3,4-dihydro-2H-1lambda~5~-pyrrol-2-yl)butanenitrile
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CAS No:
3-hydroxy-4-(1-oxido-3,4-dihydro-2H-pyrrol-1-ium-2-yl)butanenitrile Basic Attributes
168.19 g/mol
168.089877630 g/mol
294059
DTXSID90315332
Computed Properties
Molecular Weight:168.19
XLogP3:-1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:168.089877630
Monoisotopic Mass:168.089877630
Topological Polar Surface Area:72.8
Heavy Atom Count:12
Complexity:229
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 3-hydroxy-4-(1-oxido-3,4-dihydro-2H-pyrrol-1-ium-2-yl)butanenitrile
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