4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzonitrile
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![4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/36f1a2139ef7409b8b1bf51ca7c78cef.png "4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzonitrile")
4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzonitrile
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CAS No:
57270-79-8
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Formula:
C12H7N3O3
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Chemical Name:
4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzonitrile
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Synonyms:
NSC636615;57270-79-8;SCHEMBL13044569;DTXSID60327169;ZINC1624799;4-((2,4,6-Trioxotetrahydro-5(2H)-pyrimidinylidene)methyl)benzonitrile;STL428339;AKOS000413552;MCULE-8967597254;NSC-636615;ST50973650;4-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methyl]benzonitrile;4-[(2,4,6-trioxo-1,3-dihydropyrimidin-5-ylidene)methyl]benzenecarbonitrile;4-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]benzonitrile
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CAS No:
4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzonitrile Basic Attributes
241.20 g/mol
241.04874109 g/mol
636615
DTXSID60327169
Computed Properties
Molecular Weight:241.20
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:241.04874109
Monoisotopic Mass:241.04874109
Topological Polar Surface Area:99.1
Heavy Atom Count:18
Complexity:456
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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