4-[(Z)-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid
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![4-[(Z)-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/09f1f52bbfba4b9a9d05596e44134360.png "4-[(Z)-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid")
4-[(Z)-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid
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CAS No:
374543-01-8
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Formula:
C16H16N2O5
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Chemical Name:
4-[(Z)-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid
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Synonyms:
ZINC4822145;STL581078;AKOS030509866;374543-01-8;4-[(Z)-(1-butyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]benzoic acid
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CAS No:
4-[(Z)-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid Basic Attributes
316.31 g/mol
316.10592162 g/mol
Computed Properties
Molecular Weight:316.31
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:316.10592162
Monoisotopic Mass:316.10592162
Topological Polar Surface Area:104
Heavy Atom Count:23
Complexity:547
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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