5-tert-butyl-2-sulfanylbenzene-1,3-dicarboxylic acid
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5-tert-butyl-2-sulfanylbenzene-1,3-dicarboxylic acid
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CAS No:
64407-86-9
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Formula:
C12H14O4S
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Chemical Name:
5-tert-butyl-2-sulfanylbenzene-1,3-dicarboxylic acid
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Synonyms:
64407-86-9;NSC312844;5-tert-butyl-2-sulfanylbenzene-1,3-dicarboxylic acid;DTXSID60317227;NSC-312844;2-mercapto-5-tert-butylisophthalic acid
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CAS No:
5-tert-butyl-2-sulfanylbenzene-1,3-dicarboxylic acid Basic Attributes
254.30 g/mol
254.06128010 g/mol
312844
DTXSID60317227
Computed Properties
Molecular Weight:254.30
XLogP3:2.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:254.06128010
Monoisotopic Mass:254.06128010
Topological Polar Surface Area:75.6
Heavy Atom Count:17
Complexity:297
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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