1-[(4-ethylphenyl)methyl]triazole-4,5-dicarboxylic acid
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![1-[(4-ethylphenyl)methyl]triazole-4,5-dicarboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/45e021c662be43378e0ec743528d8f93.png "1-[(4-ethylphenyl)methyl]triazole-4,5-dicarboxylic acid")
1-[(4-ethylphenyl)methyl]triazole-4,5-dicarboxylic acid
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CAS No:
866844-61-3
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Formula:
C13H13N3O4
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Chemical Name:
1-[(4-ethylphenyl)methyl]triazole-4,5-dicarboxylic acid
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Synonyms:
1-(4-ethylbenzyl)-1H-1,2,3-triazole-4,5-dicarboxylic acid;1-[(4-ethylphenyl)methyl]triazole-4,5-dicarboxylic Acid;HMS3434C22;ZINC2694351;AKOS001761976;CCG-126366;MCULE-6221922691;UNM-0000305970;UNM000011079101;SR-01000093655;SR-01000093655-1;F1605-0988;866844-61-3
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CAS No:
1-[(4-ethylphenyl)methyl]triazole-4,5-dicarboxylic acid Basic Attributes
275.26 g/mol
275.09060590 g/mol
Computed Properties
Molecular Weight:275.26
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:275.09060590
Monoisotopic Mass:275.09060590
Topological Polar Surface Area:105
Heavy Atom Count:20
Complexity:369
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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