4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid
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![4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/45cb66b00fc84fca899f60006e977f90.png "4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid")
4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid
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CAS No:
5809-84-7
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Formula:
C13H10N2O5
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Chemical Name:
4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid
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Synonyms:
5809-84-7;AC1LYVJK;DTXSID80365568;ZINC181853;STK175202;AKOS000331531;MCULE-4624349677;BIM-0034420.P001;4-[(E)-(1-methyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]benzoic acid
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CAS No:
4-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid Basic Attributes
274.23 g/mol
274.05897142 g/mol
DTXSID80365568
Computed Properties
Molecular Weight:274.23
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:274.05897142
Monoisotopic Mass:274.05897142
Topological Polar Surface Area:104
Heavy Atom Count:20
Complexity:503
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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