3-pyridin-2-ylsulfanylbutan-2-one;2,4,6-trinitrophenol
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3-pyridin-2-ylsulfanylbutan-2-one;2,4,6-trinitrophenol
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CAS No:
5898-20-4
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Formula:
C15H14N4O8S
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Chemical Name:
3-pyridin-2-ylsulfanylbutan-2-one;2,4,6-trinitrophenol
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Synonyms:
5898-20-4;NSC98829;DTXSID30294935;NSC-98829;3-[(Pyridin-2-yl)sulfanyl]butan-2-one--2,4,6-trinitrophenol (1/1)
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CAS No:
3-pyridin-2-ylsulfanylbutan-2-one;2,4,6-trinitrophenol Basic Attributes
410.4 g/mol
410.05323459 g/mol
98829
DTXSID30294935
Computed Properties
Molecular Weight:410.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:3
Exact Mass:410.05323459
Monoisotopic Mass:410.05323459
Topological Polar Surface Area:213
Heavy Atom Count:28
Complexity:452
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
Guide of 3-pyridin-2-ylsulfanylbutan-2-one;2,4,6-trinitrophenol
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