2-Butanone, 4-nitro- (6CI,9CI)
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2-Butanone, 4-nitro- (6CI,9CI)
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CAS No:
58935-95-8
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Formula:
C4H7NO3
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Chemical Name:
2-Butanone, 4-nitro- (6CI,9CI)
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Synonyms:
4-nitrobutan-2-one;4-nitro-2-butanone;2-Butanone, 4-nitro- (6CI,9CI);4-nitro-butan-2-one;Substrate analogue, 17;SCHEMBL2999774;BDBM82198;CTK1G7934;DTXSID20455654;ZINC38265122
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CAS No:
Computed Properties
Molecular Weight:117.10
XLogP3:-0.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:117.042593085
Monoisotopic Mass:117.042593085
Topological Polar Surface Area:62.9
Heavy Atom Count:8
Complexity:104
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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