3,4,5-Trimethoxybenzoyl isothiocyanate
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3,4,5-Trimethoxybenzoyl isothiocyanate
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CAS No:
6939-63-5
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Formula:
C11H11NO4S
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Chemical Name:
3,4,5-Trimethoxybenzoyl isothiocyanate
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Synonyms:
Benzoyl isothiocyanate,3,4,5-trimethoxy-;Benzoic acid,3,4,5-trimethoxy-,anhydride with isothiocyanic acid;3,4,5-Trimethoxybenzoyl isothiocyanate;NSC 57734;3,4,5-Trimethoxybenzoyl isothiocyante
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CAS No:
3,4,5-Trimethoxybenzoyl isothiocyanate Basic Attributes
253.28 g/mol
253.27
230-074-1
57734
DTXSID30219507
Computed Properties
Molecular Weight:253.28
XLogP3:3.1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:253.04087901
Monoisotopic Mass:253.04087901
Topological Polar Surface Area:89.2
Heavy Atom Count:17
Complexity:303
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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