methyl 2-isothiocyanato-3-phenylpropanoate
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methyl 2-isothiocyanato-3-phenylpropanoate
structure -
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CAS No:
68521-58-4
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Formula:
C11H11NO2S
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Chemical Name:
methyl 2-isothiocyanato-3-phenylpropanoate
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Synonyms:
Methyl 2-isothiocyanato-3-phenylpropanoate;Methyl 2-isothiocyanato-3-phenylpropionate;21055-46-9;68521-58-4;Methyl L-2-isothiocyanato-3-phenylpropanoate;(S)-METHYL 2-ISOTHIOCYANATO-3-PHENYLPROPANOATE;SCHEMBL4700347;DTXSID70988189;AKOS003382469;DB-045466;methyl 2-isothiocyanato-3-phenyl-propanoate;FT-0603910;FT-0603924;FT-0638079;FT-0682051;Methyl 2-isothiocyanato-3-phenylpropanoate #;Benzenepropanoic acid,a-thiocyanato-,methyl ester;Methyl N-(sulfanylidenemethylidene)phenylalaninate;2-Isothiocyanato-3-phenylpropanoic acid methyl ester
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CAS No:
Computed Properties
Molecular Weight:221.28
XLogP3:3.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:221.05104977
Monoisotopic Mass:221.05104977
Topological Polar Surface Area:70.8
Heavy Atom Count:15
Complexity:255
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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