3-[cyano(phenyl)methyl]benzoic acid
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![3-[cyano(phenyl)methyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e98fba961e7d490e991fdbb2d67a9413.png "3-[cyano(phenyl)methyl]benzoic acid")
3-[cyano(phenyl)methyl]benzoic acid
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CAS No:
18908-55-9
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Formula:
C15H11NO2
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Chemical Name:
3-[cyano(phenyl)methyl]benzoic acid
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Synonyms:
18908-55-9;3-[cyano(phenyl)methyl]benzoic acid;Benzoicacid, 3-(cyanophenylmethyl)-;NSC113998;DTXSID80297097;NSC-113998;DS-010472
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CAS No:
3-[cyano(phenyl)methyl]benzoic acid Basic Attributes
237.25 g/mol
237.078978594 g/mol
113998
DTXSID80297097
Computed Properties
Molecular Weight:237.25
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:237.078978594
Monoisotopic Mass:237.078978594
Topological Polar Surface Area:61.1
Heavy Atom Count:18
Complexity:338
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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