butyl 2-isothiocyanatoacetate
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butyl 2-isothiocyanatoacetate
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CAS No:
58511-01-6
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Formula:
C7H11NO2S
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Chemical Name:
butyl 2-isothiocyanatoacetate
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Synonyms:
58511-01-6;ISOTHIOCYANIC ACID, BUTOXYCARBONYLMETHYL ESTER;Isothiocyanic acid, carbobutoxymethyl ester;BRN 2086675;DTXSID80207232;Butoxycarbonylmethyl isothiocyanate;NSC218423;NSC 218423;NSC-218423
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CAS No:
butyl 2-isothiocyanatoacetate Basic Attributes
173.24 g/mol
173.05104977 g/mol
218423
DTXSID80207232
Computed Properties
Molecular Weight:173.24
XLogP3:2.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:173.05104977
Monoisotopic Mass:173.05104977
Topological Polar Surface Area:70.8
Heavy Atom Count:11
Complexity:164
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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