(βS)-2-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid
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![(βS)-2-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/053f76dc1e7e413292e042f43338e3e5.png "(βS)-2-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid")
(βS)-2-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid
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CAS No:
270065-83-3
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Formula:
C16H20N2O4
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Chemical Name:
(βS)-2-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid
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Synonyms:
Benzenebutanoic acid,2-cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]-,(βS)-;(βS)-2-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid
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CAS No:
(βS)-2-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid Basic Attributes
304.34
304.34
Characteristics
99.4
2.62
1.2±0.1 g/cm3
496.8±40.0 °C at 760 mmHg
254.2±27.3 °C
1.545
1.1E-10mmHg at 25°C
Computed Properties
Molecular Weight:304.34
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:304.14230712
Monoisotopic Mass:304.14230712
Topological Polar Surface Area:99.4
Heavy Atom Count:22
Complexity:447
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(βS)-2-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid
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