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1253789-57-9 | 3-Isothiazolidinecarboxylic acid, ethyl ester, 1,1-dioxide
CAS No: 1253789-57-9 Catalog No: AG000NL6 MDL No:
Product Description
Catalog Number:
AG000NL6
Chemical Name:
3-Isothiazolidinecarboxylic acid, ethyl ester, 1,1-dioxide
CAS Number:
1253789-57-9
Molecular Formula:
C6H11NO4S
Molecular Weight:
193.2208
IUPAC Name:
ethyl 1,1-dioxo-1,2-thiazolidine-3-carboxylate
InChI:
InChI=1S/C6H11NO4S/c1-2-11-6(8)5-3-4-12(9,10)7-5/h5,7H,2-4H2,1H3
InChI Key:
DOQNCFXSMXIUGB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCS(=O)(=O)N1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.217g/mol
Monoisotopic Mass:
193.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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