| CAS Number | 32361-73-2 |
| Catalog Number | AG019T7S(AGN-PC-0NF392) |
| Chemical Name | 1-(4-Methanesulfinylphenyl)ethan-1-one |
| IUPAC Name | 1-(4-methylsulfinylphenyl)ethanone |
| InChI | InChI=1S/C9H10O2S/c1-7(10)8-3-5-9(6-4-8)12(2)11/h3-6H,1-2H3 |
| InChI Key | NTUFNCGULZBNCK-UHFFFAOYSA-N |
| MDL Number | MFCD20731241 |
| Molecular Formula | C9H10O2S |
| Molecular Weight | 182.2395 |
| SMILES | CC(C1=CC=C(S(C)=O)C=C1)=O |
| Synonyms | 1-(4-methanesulfinylphenyl)ethan-1-one,
32361-73-2,
1-(4-methansulfinylphenyl)-ethanone,
Methyl 4-acetylphenyl sulfoxide,
p-acetylphenyl methyl sulphoxide,
AKOS033243422,
MCULE-1187072609,
NE20005,
Z1309300218,
1-(4-methylsulfinylphenyl)ethanone,
1-(4-(methylsulfinyl)phenyl)ethanone,
CID11052281,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.237g/mol |
| Monoisotopic Mass | 182.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number