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4727-45-1 | 2,13-dimethyl-6,9-dioxo-5,10-dioxa-2,13-dithioniatetradecane diiodide
CAS No: 4727-45-1 Catalog No: AG00DV90 MDL No:
Product Description
Catalog Number:
AG00DV90
Chemical Name:
2,13-dimethyl-6,9-dioxo-5,10-dioxa-2,13-dithioniatetradecane diiodide
CAS Number:
4727-45-1
IUPAC Name:
2-[4-(2-dimethylsulfonioethoxy)-4-oxobutanoyl]oxyethyl-dimethylsulfanium;diiodide
InChI:
InChI=1S/C12H24O4S2.2HI/c1-17(2)9-7-15-11(13)5-6-12(14)16-8-10-18(3)4;;/h5-10H2,1-4H3;2*1H/q+2;;/p-2
InChI Key:
HJQTYMDWVQMHLX-UHFFFAOYSA-L
EC Number:
225-222-7
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
549.921g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
550.249g/mol
Monoisotopic Mass:
549.921g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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