2-benzylsulfinylbenzene-1,3-dicarboxylic acid
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2-benzylsulfinylbenzene-1,3-dicarboxylic acid
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CAS No:
67242-00-6
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Formula:
C15H12O5S
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Chemical Name:
2-benzylsulfinylbenzene-1,3-dicarboxylic acid
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Synonyms:
NSC321598;MLS003170653;NSC-321598;67242-00-6;2-(benzylsulfinyl)isophthalic acid;NCIStruc1_001729;NCIStruc2_001471;CHEMBL1741614;DTXSID50317897;NCGC00014747;NCI321598;NCGC00014747-02;NCGC00097848-01;NCI60_002790;SMR001874576
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CAS No:
2-benzylsulfinylbenzene-1,3-dicarboxylic acid Basic Attributes
304.3 g/mol
304.04054465 g/mol
321598
DTXSID50317897
Computed Properties
Molecular Weight:304.3
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:304.04054465
Monoisotopic Mass:304.04054465
Topological Polar Surface Area:111
Heavy Atom Count:21
Complexity:394
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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