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139268-81-8 | Ethanone, 2-(ethylsulfinyl)-1-(4-methoxyphenyl)-
CAS No: 139268-81-8 Catalog No: AG001ALU MDL No:
Product Description
Catalog Number:
AG001ALU
Chemical Name:
Ethanone, 2-(ethylsulfinyl)-1-(4-methoxyphenyl)-
CAS Number:
139268-81-8
Molecular Formula:
C11H14O3S
Molecular Weight:
226.2921
IUPAC Name:
2-ethylsulfinyl-1-(4-methoxyphenyl)ethanone
InChI:
InChI=1S/C11H14O3S/c1-3-15(13)8-11(12)9-4-6-10(14-2)7-5-9/h4-7H,3,8H2,1-2H3
InChI Key:
AFFQUOKEJPRIQQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)CS(=O)CC
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.066g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.29g/mol
Monoisotopic Mass:
226.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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