Home Carboxys 1,2,3-Oxathiazine-3(4H)-carboxylic acid, dihydro-, 1,1-dimethylethylester, 2,2-dioxide

1,2,3-Oxathiazine-3(4H)-carboxylic acid, dihydro-, 1,1-dimethylethylester, 2,2-dioxide

CAS No.:
521267-18-5
Catalog Number:
AG00I9BO
Molecular Formula:
C8H15NO5S
Molecular Weight:
237.2734
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Product Description
Catalog Number:
AG00I9BO
Chemical Name:
1,2,3-Oxathiazine-3(4H)-carboxylic acid, dihydro-, 1,1-dimethylethylester, 2,2-dioxide
CAS Number:
521267-18-5
Molecular Formula:
C8H15NO5S
Molecular Weight:
237.2734
MDL Number:
MFCD22123271
IUPAC Name:
tert-butyl 2,2-dioxooxathiazinane-3-carboxylate
InChI:
InChI=1S/C8H15NO5S/c1-8(2,3)14-7(10)9-5-4-6-13-15(9,11)12/h4-6H2,1-3H3
InChI Key:
LQCKYZKFOOSNFJ-UHFFFAOYSA-N
SMILES:
O=C(N1CCCOS1(=O)=O)OC(C)(C)C
Properties
Complexity:
337  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.067g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.27g/mol
Monoisotopic Mass:
237.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties