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87084-03-5 | 2-Propanone, 1,1-diethoxy-3-(methylsulfinyl)-
CAS No: 87084-03-5 Catalog No: AG004LKY MDL No:
Product Description
Catalog Number:
AG004LKY
Chemical Name:
2-Propanone, 1,1-diethoxy-3-(methylsulfinyl)-
CAS Number:
87084-03-5
Molecular Formula:
C8H16O4S
Molecular Weight:
208.2752
IUPAC Name:
1,1-diethoxy-3-methylsulfinylpropan-2-one
InChI:
InChI=1S/C8H16O4S/c1-4-11-8(12-5-2)7(9)6-13(3)10/h8H,4-6H2,1-3H3
InChI Key:
CFIPPNDOMGPQDC-UHFFFAOYSA-N
SMILES:
CCOC(C(=O)CS(=O)C)OCC
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.272g/mol
Monoisotopic Mass:
208.077g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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