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1257300-52-9 | 1,3-Dioxa-2-thia-8-azaspiro[4.5]decane-8-carboxylic acid, 1,1-dimethylethyl ester, 2,2-dioxide
CAS No: 1257300-52-9 Catalog No: AG000OJU MDL No:MFCD23106399
Product Description
Catalog Number:
AG000OJU
Chemical Name:
1,3-Dioxa-2-thia-8-azaspiro[4.5]decane-8-carboxylic acid, 1,1-dimethylethyl ester, 2,2-dioxide
CAS Number:
1257300-52-9
Molecular Formula:
C11H19NO6S
Molecular Weight:
293.3367
MDL Number:
MFCD23106399
IUPAC Name:
tert-butyl 2,2-dioxo-1,3-dioxa-2λ6-thia-8-azaspiro[4.5]decane-8-carboxylate
InChI:
InChI=1S/C11H19NO6S/c1-10(2,3)17-9(13)12-6-4-11(5-7-12)8-16-19(14,15)18-11/h4-8H2,1-3H3
InChI Key:
BMYYGONTUFPZTJ-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)COS(=O)(=O)O2)OC(C)(C)C
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.093g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.334g/mol
Monoisotopic Mass:
293.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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