1,2-Benzisothiazole-5-carboxylic acid, 2,3-dihydro-3-oxo-, 1,1-dioxide

Base Information

• Chemical Name: 1,2-Benzisothiazole-5-carboxylic acid, 2,3-dihydro-3-oxo-, 1,1-dioxide
• CAS No.: 221446-00-0
• Molecular Formula: C8H5NO5S
• European Community (EC) Number: 821-575-1
• DSSTox Substance ID: DTXSID00566050
• Nikkaji Number: J2.210.946D
• Wikidata: Q82451481
• Mol file: 221446-00-0.mol

Synonyms:221446-00-0;1,2-Benzisothiazole-5-carboxylic acid, 2,3-dihydro-3-oxo-, 1,1-dioxide;1,1,3-trioxo-1,2-benzothiazole-5-carboxylic acid;saccharin-5-carboxylic acid;3-Oxo-2,3-dihydrobenzo[d]isothiazole-5-carboxylic acid 1,1-dioxide;SCHEMBL7656172;DTXSID00566050;1,1,3-trioxo-2,3-dihydro-1$l^{6},2-benzothiazole-5-carboxylic acid;MFCD16036686;AKOS026121380;AKOS027470073;CS-0109585;EN300-66893;H11063;F2158-0106;Z1065654382;1,1,3-trioxo-2,3-dihydro-1lambda,2-benzothiazole-5-carboxylic acid;3-Oxo-2,3-dihydrobenzo[d]isothiazole-5-carboxylicacid1,1-dioxide;1,1,3-Trioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazole-5-carboxylic acid;1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazole-5-carboxylic acid;1,1-Dioxide-2,3-dihydro-3-oxo-1,2-benzisothiazole-5-carboxylic acid

Chemical Property of 1,2-Benzisothiazole-5-carboxylic acid, 2,3-dihydro-3-oxo-, 1,1-dioxide

Chemical Property:

• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 226.98884343
• Heavy Atom Count: 15
• Complexity: 409

Purity/Quality:

95%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1C(=O)O)C(=O)NS2(=O)=O

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