| CAS Number | 86453-13-6 |
| Catalog Number | AG004N05(AGN-PC-0WOAL4) |
| Chemical Name | 1-(ethanesulfonyl)propan-2-one |
| IUPAC Name | 1-ethylsulfonylpropan-2-one |
| InChI | InChI=1S/C5H10O3S/c1-3-9(7,8)4-5(2)6/h3-4H2,1-2H3 |
| InChI Key | QZKCAVXRXZLZSJ-UHFFFAOYSA-N |
| MDL Number | MFCD00047811 |
| Molecular Formula | C5H10O3S |
| Molecular Weight | 150.1961 |
| SMILES | CCS(CC(C)=O)(=O)=O |
| Synonyms | Ethylsulfonylpropanone,
1-(ethanesulfonyl)propan-2-one,
86453-13-6,
1-ethanesulfonyl-propan-2-one,
(Ethylsulfonyl)acetone,
1-(ethylsulfonyl)acetone,
AC1LAXH0,
1-ethylsulfonylpropan-2-one,
SCHEMBL10773262,
CTK5F6666,
DTXSID40335085,
ZINC32156202,
AKOS013355685,
MCULE-7362448391,
NE37372,
EN300-77225,
Z1696860413,
CID522856,
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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 | -0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number