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4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzonitrile

4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzonitrile structure

CAS No:
81762-39-2
Formula:
C14H11N3O3
Chemical Name:
4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzonitrile
Synonyms:
4-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]benzonitrile;ZINC3266049;STK158055;4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzonitrile;AKOS000335310;MCULE-5641577713;Z44299106;81762-39-2

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4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzonitrile Basic Attributes

Molecular Weight：

269.25 g/mol

Exact Mass：

269.08004122 g/mol

Characteristics

PSA：

81.5 Å²

XLogP3：

0.86788

Melting Point：

180 - 182 °C (ethanol)

Computed Properties

Molecular Weight:269.25
XLogP3:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:269.08004122
Monoisotopic Mass:269.08004122
Topological Polar Surface Area:81.5
Heavy Atom Count:20
Complexity:509
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: dinitrogen pentoxide formula; ipa structure; pyrazine; t-butyl chloride; catechol; 1-propanol

Guide of 4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzonitrile

Basic Attributes
Characteristics
Computed Properties

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