dimethyl 2-isothiocyanatobutanedioate
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dimethyl 2-isothiocyanatobutanedioate
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CAS No:
121928-38-9
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Formula:
C7H9NO4S
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Chemical Name:
dimethyl 2-isothiocyanatobutanedioate
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Synonyms:
Dimethyl isothiocyanatosuccinate;Dimethyl 2-isothiocyanatosuccinate;Dimethyl L-isothiocyanatosuccinate;121928-38-9;dimethyl N-(thioxomethylene)aspartate;21055-49-2;dimethyl N-(thioxomethylidene)aspartate;dimethyl 2-isothiocyanatobutanedioate;1,4-dimethyl 2-isothiocyanatobutanedioate;ALBB-011902;Dimethyl 2-isothiocyanatosuccinate #;BBL028083;STK801451;AKOS005173492;MCULE-8220332320;VZ31913;VS-08660;DB-045468;FT-0638081;FT-0682083;aspartic acid, N-carbonothioyl-, dimethyl ester;J-004714
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CAS No:
dimethyl 2-isothiocyanatobutanedioate Basic Attributes
203.22 g/mol
203.02522894 g/mol
DTXSID80153442
Computed Properties
Molecular Weight:203.22
XLogP3:1.5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:203.02522894
Monoisotopic Mass:203.02522894
Topological Polar Surface Area:97
Heavy Atom Count:13
Complexity:247
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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