2-cyano-3-methyl-2-[(2-methylphenyl)methyl]butanoic acid
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![2-cyano-3-methyl-2-[(2-methylphenyl)methyl]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b4f6762714594cbe827271771a9b306d.png "2-cyano-3-methyl-2-[(2-methylphenyl)methyl]butanoic acid")
2-cyano-3-methyl-2-[(2-methylphenyl)methyl]butanoic acid
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CAS No:
29277-53-0
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Formula:
C14H17NO2
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Chemical Name:
2-cyano-3-methyl-2-[(2-methylphenyl)methyl]butanoic acid
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Synonyms:
2-Cyano-3-methyl-2-(2-methylbenzyl)butyric acid;2-Cyano-3-methyl-2-(O-methylbenzyl)butanoic acid;2-Cyano-3-methyl-2-(2-methylbenzyl)butanoic acid #;29277-53-0
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CAS No:
2-cyano-3-methyl-2-[(2-methylphenyl)methyl]butanoic acid Basic Attributes
231.29 g/mol
231.125928785 g/mol
Computed Properties
Molecular Weight:231.29
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:231.125928785
Monoisotopic Mass:231.125928785
Topological Polar Surface Area:61.1
Heavy Atom Count:17
Complexity:328
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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