Benzenepropanoic acid, a-(1-aMinoethyl)-3-cyano-, Methyl ester, [R-(R*,R*)]-
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![Benzenepropanoic acid, a-(1-aMinoethyl)-3-cyano-, Methyl ester, [R-(R*,R*)]- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/be15b1cee81c48f793b86a09c0883875.png "Benzenepropanoic acid, a-(1-aMinoethyl)-3-cyano-, Methyl ester, [R-(R*,R*)]-")
Benzenepropanoic acid, a-(1-aMinoethyl)-3-cyano-, Methyl ester, [R-(R*,R*)]-
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CAS No:
193152-96-4
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Formula:
C13H16N2O2
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Chemical Name:
Benzenepropanoic acid, a-(1-aMinoethyl)-3-cyano-, Methyl ester, [R-(R*,R*)]-
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Synonyms:
SCHEMBL6643721;193152-96-4;methyl 3-amino-2-[(3-cyanophenyl)methyl]butanoate;methyl beta-amino-alpha-(3-cyanophenylmethyl)butyrate;Benzenepropanoic acid, a-(1-aminoethyl)-3-cyano-, methyl ester, [R-(R*,R*)]-
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CAS No:
Benzenepropanoic acid, a-(1-aMinoethyl)-3-cyano-, Methyl ester, [R-(R*,R*)]- Basic Attributes
232.27834
232.121
Computed Properties
Molecular Weight:232.28
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:232.121177757
Monoisotopic Mass:232.121177757
Topological Polar Surface Area:76.1
Heavy Atom Count:17
Complexity:308
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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