1,3-Dimethyl 5-isothiocyanato-1,3-benzenedicarboxylate
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1,3-Dimethyl 5-isothiocyanato-1,3-benzenedicarboxylate
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CAS No:
72076-50-7
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Formula:
C11H9NO4S
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Chemical Name:
1,3-Dimethyl 5-isothiocyanato-1,3-benzenedicarboxylate
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Synonyms:
1,3-Benzenedicarboxylic acid,5-isothiocyanato-,1,3-dimethyl ester;1,3-Benzenedicarboxylic acid,5-isothiocyanato-,dimethyl ester;1,3-Dimethyl 5-isothiocyanato-1,3-benzenedicarboxylate;Dimethyl 5-isothiocyanatoisophthalate
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CAS No:
1,3-Dimethyl 5-isothiocyanato-1,3-benzenedicarboxylate Basic Attributes
251.25800
251.26
DTXSID0072483
2930909090
1,3-Dimethyl 5-isothiocyanato-1,3-benzenedicarboxylate Use and Manufacturing
1,3-Benzenedicarboxylic acid, 5-isothiocyanato-, 1,3-dimethyl ester: INACTIVE
Computed Properties
Molecular Weight:251.26
XLogP3:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:251.02522894
Monoisotopic Mass:251.02522894
Topological Polar Surface Area:97
Heavy Atom Count:17
Complexity:327
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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