4-[(Z)-[2,4,6-trioxo-1-(2,4,6-trimethylphenyl)-1,3-diazinan-5-ylidene]methyl]benzoic acid
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![4-[(Z)-[2,4,6-trioxo-1-(2,4,6-trimethylphenyl)-1,3-diazinan-5-ylidene]methyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b1aceb87f8964d258d5c3a2982b84df9.png "4-[(Z)-[2,4,6-trioxo-1-(2,4,6-trimethylphenyl)-1,3-diazinan-5-ylidene]methyl]benzoic acid")
4-[(Z)-[2,4,6-trioxo-1-(2,4,6-trimethylphenyl)-1,3-diazinan-5-ylidene]methyl]benzoic acid
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CAS No:
346642-81-7
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Formula:
C21H18N2O5
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Chemical Name:
4-[(Z)-[2,4,6-trioxo-1-(2,4,6-trimethylphenyl)-1,3-diazinan-5-ylidene]methyl]benzoic acid
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Synonyms:
STL335075;ZINC20101002;AKOS022126064;346642-81-7;4-{(Z)-[2,4,6-trioxo-1-(2,4,6-trimethylphenyl)tetrahydropyrimidin-5(2H)-ylidene]methyl}benzoic acid
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CAS No:
4-[(Z)-[2,4,6-trioxo-1-(2,4,6-trimethylphenyl)-1,3-diazinan-5-ylidene]methyl]benzoic acid Basic Attributes
378.4 g/mol
378.12157168 g/mol
Computed Properties
Molecular Weight:378.4
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:378.12157168
Monoisotopic Mass:378.12157168
Topological Polar Surface Area:104
Heavy Atom Count:28
Complexity:696
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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