5-[(5-hydroxypyridin-3-yl)methyl]-2-methylbenzenesulfonic acid
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![5-[(5-hydroxypyridin-3-yl)methyl]-2-methylbenzenesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/fa52ef52c9584025bc9960671a150d2b.png "5-[(5-hydroxypyridin-3-yl)methyl]-2-methylbenzenesulfonic acid")
5-[(5-hydroxypyridin-3-yl)methyl]-2-methylbenzenesulfonic acid
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CAS No:
337932-26-0
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Formula:
C13H13NO4S
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Chemical Name:
5-[(5-hydroxypyridin-3-yl)methyl]-2-methylbenzenesulfonic acid
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Synonyms:
SMR000070311;MLS000061833;5-[(5-hydroxypyridin-3-yl)methyl]-2-methylbenzenesulfonic acid;5-[(5-hydroxy-3-pyridinyl)methyl]-2-methylbenzenesulfonic acid;CBKinase1_001189;CBKinase1_013589;CHEMBL330756;SCHEMBL14426465;BDBM48402;cid_2058458;HMS2338H06;ZINC2495713;BBL009221;MFCD01605539;STK386573;AKOS000634563;MCULE-6876523815;ST50746234;BRD-K21601241-001-01-2;5-[(5-hydroxy-3-pyridyl)methyl]-2-methyl-besylic acid;5-[(5-hydroxy(3-pyridyl))methyl]-2-methylbenzenesulfonic acid;2-methyl-5-[(5-oxidanylpyridin-3-yl)methyl]benzenesulfonic acid;5-[(5-hydroxy-3-pyridyl)methyl]-2-methyl-1-benzenesulfonic acid;337932-26-0
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CAS No:
5-[(5-hydroxypyridin-3-yl)methyl]-2-methylbenzenesulfonic acid Basic Attributes
279.31 g/mol
279.05652907 g/mol
Computed Properties
Molecular Weight:279.31
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:279.05652907
Monoisotopic Mass:279.05652907
Topological Polar Surface Area:95.9
Heavy Atom Count:19
Complexity:392
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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