| CAS Number | 68152-37-4 |
| Catalog Number | AG006E7T(AGN-PC-0NJ2BS) |
| Chemical Name | 4-Methanesulfonylbutan-2-one |
| IUPAC Name | 4-methylsulfonylbutan-2-one |
| InChI | InChI=1S/C5H10O3S/c1-5(6)3-4-9(2,7)8/h3-4H2,1-2H3 |
| InChI Key | DGSXOEUBLNVMSV-UHFFFAOYSA-N |
| MDL Number | MFCD09757574 |
| Molecular Formula | C5H10O3S |
| Molecular Weight | 150.1961 |
| SMILES | CC(CCS(C)(=O)=O)=O |
| Synonyms | 68152-37-4,
4-METHANESULFONYLBUTAN-2-ONE,
4-Methylsulfonylbutan-2-one,
4-methanesulfonyl-butan-2-one,
4-(Methylsulfonyl)-2-butanone,
4-(Methanesulfonyl)butan-2-one,
SCHEMBL14009805,
CTK5C7422,
DTXSID00499354,
4-METHANESULPHONYLBUTAN-2-ONE,
AKOS011914310,
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| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.192g/mol |
| Monoisotopic Mass | 150.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number