4-[[2-(cyanomethylamino)-2-oxoethyl]amino]benzoic acid
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![4-[[2-(cyanomethylamino)-2-oxoethyl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7a352cfa7c7249789151dba5b6f4295e.png "4-[[2-(cyanomethylamino)-2-oxoethyl]amino]benzoic acid")
4-[[2-(cyanomethylamino)-2-oxoethyl]amino]benzoic acid
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CAS No:
19065-92-0
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Formula:
C11H11N3O3
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Chemical Name:
4-[[2-(cyanomethylamino)-2-oxoethyl]amino]benzoic acid
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Synonyms:
4-carboxyphenylglycylaminoacetonitrile;p-carboxyphenylglycylaminoacetonitrile;4-Carboxyphenylglycylaminoacetonitrile;19065-92-0;p-Carboxyphenylglycylaminoacetonitrile;H-100;Carboxyphenyl glycyl aminoacetonitrile;N-(N-(4-Carboxyphenyl)glycyl)aminoacetonitrile;UNII-5RQ73K2EC8;5RQ73K2EC8;DTXSID30172562;N-(N-(p-Carboxy-phenyl)-glycyl)-aminoacetonitril;Benzoic acid, 4-((2-((cyanomethyl)amino)-2-oxoethyl)amino)-
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CAS No:
4-[[2-(cyanomethylamino)-2-oxoethyl]amino]benzoic acid Basic Attributes
233.22 g/mol
233.08004122 g/mol
5RQ73K2EC8
DTXSID30172562
Computed Properties
Molecular Weight:233.22
XLogP3:0.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:233.08004122
Monoisotopic Mass:233.08004122
Topological Polar Surface Area:102
Heavy Atom Count:17
Complexity:326
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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