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1146957-01-8 | 3-Isothiazolidinecarboxylic acid, 1,1-dioxide
CAS No: 1146957-01-8 Catalog No: AG000F1W MDL No:MFCD07369945
Product Description
Catalog Number:
AG000F1W
Chemical Name:
3-Isothiazolidinecarboxylic acid, 1,1-dioxide
CAS Number:
1146957-01-8
Molecular Formula:
C4H7NO4S
Molecular Weight:
165.1677
MDL Number:
MFCD07369945
IUPAC Name:
1,1-dioxo-1,2-thiazolidine-3-carboxylic acid
InChI:
InChI=1S/C4H7NO4S/c6-4(7)3-1-2-10(8,9)5-3/h3,5H,1-2H2,(H,6,7)
InChI Key:
CKMPIUWDWKULKJ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCS(=O)(=O)N1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.01g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.163g/mol
Monoisotopic Mass:
165.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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