Butanoic acid, 2-isothiocyanato-3-methyl-, ethyl ester, (S)-
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Butanoic acid, 2-isothiocyanato-3-methyl-, ethyl ester, (S)-
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CAS No:
26349-76-8
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Formula:
C8H13NO2S
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Chemical Name:
Butanoic acid, 2-isothiocyanato-3-methyl-, ethyl ester, (S)-
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Synonyms:
Butanoic acid,2-isothiocyanato-3-methyl-,ethyl ester,(S)-;Butyric acid,2-isothiocyanato-3-methyl-,ethyl ester,L-;NSC 218420
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CAS No:
Butanoic acid, 2-isothiocyanato-3-methyl-, ethyl ester, (S)- Basic Attributes
187.262
187.26
218420
DTXSID00309888
2930909090
Computed Properties
Molecular Weight:187.26
XLogP3:3.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:187.06669983
Monoisotopic Mass:187.06669983
Topological Polar Surface Area:70.8
Heavy Atom Count:12
Complexity:197
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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