Ethyl 3-isothiocyanatobutanoate
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Ethyl 3-isothiocyanatobutanoate
structure -
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CAS No:
206750-29-0
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Formula:
C7H11NO2S
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Chemical Name:
Ethyl 3-isothiocyanatobutanoate
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Synonyms:
Butanoic acid,3-isothiocyanato-,ethyl ester;Ethyl 3-isothiocyanatobutanoate
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CAS No:
Safety Information
II
6.1
2810
20/21/22-36/37/38
26-36/37/39
P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
Computed Properties
Molecular Weight:173.24
XLogP3:2.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:173.05104977
Monoisotopic Mass:173.05104977
Topological Polar Surface Area:70.8
Heavy Atom Count:11
Complexity:175
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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