3-Pyridinecarbonitrile, 5-[3-(5-cyano-1-hexyl-1,6-dihydro-4-methyl-2,6-dioxo-3(2H)-pyridinylidene)-1-propen-1-yl]-1-hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-, calcium salt (2:1)
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3-Pyridinecarbonitrile, 5-[3-(5-cyano-1-hexyl-1,6-dihydro-4-methyl-2,6-dioxo-3(2H)-pyridinylidene)-1-propen-1-yl]-1-hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-, calcium salt (2:1)
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CAS No:
68612-74-8
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Formula:
C29H36N4O4.1/2Ca
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Chemical Name:
3-Pyridinecarbonitrile, 5-[3-(5-cyano-1-hexyl-1,6-dihydro-4-methyl-2,6-dioxo-3(2H)-pyridinylidene)-1-propen-1-yl]-1-hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-, calcium salt (2:1)
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Synonyms:
3-Pyridinecarbonitrile,5-[3-(5-cyano-1-hexyl-1,6-dihydro-4-methyl-2,6-dioxo-3(2H)-pyridinylidene)-1-propen-1-yl]-1-hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-,calcium salt (2:1);3-Pyridinecarbonitrile,5-[3-(5-cyano-1-hexyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)-2-propenylidene]-1-hexyl-1,2,5,6-tetrahydro-4-methyl-2,6-dioxo-,calcium salt
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CAS No:
3-Pyridinecarbonitrile, 5-[3-(5-cyano-1-hexyl-1,6-dihydro-4-methyl-2,6-dioxo-3(2H)-pyridinylidene)-1-propen-1-yl]-1-hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-, calcium salt (2:1) Basic Attributes
1047.3032
1046.494252
271-908-4
Computed Properties
Molecular Weight:1047.3
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:24
Exact Mass:1046.4942521
Monoisotopic Mass:1046.4942521
Topological Polar Surface Area:257
Heavy Atom Count:75
Complexity:1110
Defined Bond Stereocenter Count:4
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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3-Pyridinecarbonitrile, 5-[3-(5-cyano-1-hexyl-1,6-dihydro-4-methyl-2,6-dioxo-3(2H)-pyridinylidene)-1-propen-1-yl]-1-hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-, calcium salt (2:1)
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