6-sulfanylidene-1H-pyridine-3,4-dicarboxylic acid
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6-sulfanylidene-1H-pyridine-3,4-dicarboxylic acid
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CAS No:
219652-62-7
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Formula:
C7H5NO4S
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Chemical Name:
6-sulfanylidene-1H-pyridine-3,4-dicarboxylic acid
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Synonyms:
6-MERCAPTOPYRIDINE-3,4-DICARBOXYLIC ACID; 3,4-Pyridinedicarboxylicacid,1,6-dihydro-6-thioxo;
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CAS No:
6-sulfanylidene-1H-pyridine-3,4-dicarboxylic acid Basic Attributes
199.18400
198.99392881
DTXSID90376261
Computed Properties
Molecular Weight:199.19
XLogP3:-0.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:198.99392881
Monoisotopic Mass:198.99392881
Topological Polar Surface Area:119
Heavy Atom Count:13
Complexity:356
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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