Ethyl 2-isothiocyanato-3-phenylpropanoate
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Ethyl 2-isothiocyanato-3-phenylpropanoate
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CAS No:
62246-53-1
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Formula:
C12H13NO2S
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Chemical Name:
Ethyl 2-isothiocyanato-3-phenylpropanoate
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Synonyms:
ethyl 2-isothiocyanato-3-phenylpropanoate;2-Isothiocyanato-3-phenyl-propionic acid ethyl ester;ethyl N-(thioxomethylidene)phenylalaninate;CTK6F4060;BBL030946;STK801414;AKOS015853891;MCULE-6965377853;VS-10131;alpha-Isothiocyanatobenzenepropionic acid ethyl ester
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CAS No:
Computed Properties
Molecular Weight:235.30
XLogP3:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:235.06669983
Monoisotopic Mass:235.06669983
Topological Polar Surface Area:70.8
Heavy Atom Count:16
Complexity:268
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Ethyl 2-isothiocyanato-3-phenylpropanoate
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