methyl 6-isothiocyanatohexanoate
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methyl 6-isothiocyanatohexanoate
structure -
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CAS No:
16424-87-6
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Formula:
C8H13NO2S
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Chemical Name:
methyl 6-isothiocyanatohexanoate
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Synonyms:
methyl 6-isothiocyanatohexanoate;16424-87-6;Hexanoic acid, 6-isothiocyanato-, methyl ester;METHYL6-ISOTHIOCYANATOHEXANOATE;SCHEMBL13123489;DTXSID20368134;ZINC3211135;AKOS001034126;NE12249;Hexanoic acid,6-isothiocyanato-,methyl ester;EN300-10399
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CAS No:
Computed Properties
Molecular Weight:187.26
XLogP3:2.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:187.06669983
Monoisotopic Mass:187.06669983
Topological Polar Surface Area:70.8
Heavy Atom Count:12
Complexity:176
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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