1331-61-9 Purity
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The molecular formula is C6H13NO4S.
The molecular weight is 195.24 g/mol.
The IUPAC name is 2-morpholin-4-ylethanesulfonic acid.
The InChI is InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10).
The InChIKey is SXGZJKUKBWWHRA-UHFFFAOYSA-N.
The canonical SMILES is C1COCCN1CCS(=O)(=O)O.
The CAS number is 4432-31-9.
The ChEBI ID is CHEMBL1234276.
The hydrogen bond donor count is 1.
The hydrogen bond acceptor count is 5.
Reference: [1] Journal of Organic Chemistry, 1943, vol. 8, p. 199,201
Reference: [1]Current Patent Assignee: BAYER AG - WO2019/96907, 2019, A1
Location in patent: Page/Page column 160
* For details of the synthesis route, please refer to the original source to ensure accuracy.