methyl 4-oxo-1H-isothiochromene-3-carboxylate
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methyl 4-oxo-1H-isothiochromene-3-carboxylate
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CAS No:
59961-17-0
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Formula:
C11H10O3S
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Chemical Name:
methyl 4-oxo-1H-isothiochromene-3-carboxylate
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Synonyms:
59961-17-0;NSC255255;DTXSID40312492;NSC-255255;methyl 4-oxoisothiochroman-3-carboxylate;DS-001420;Methyl 4-oxo-3,4-dihydro-1H-2-benzothiopyran-3-carboxylate
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CAS No:
methyl 4-oxo-1H-isothiochromene-3-carboxylate Basic Attributes
222.26 g/mol
222.03506535 g/mol
255255
DTXSID40312492
Computed Properties
Molecular Weight:222.26
XLogP3:2.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:222.03506535
Monoisotopic Mass:222.03506535
Topological Polar Surface Area:68.7
Heavy Atom Count:15
Complexity:277
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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