| CAS Number | 91313-63-2 |
| Catalog Number | AG00IGL4(AGN-PC-0JSAX8) |
| Chemical Name | 2-Propanone, 1-(propylsulfonyl)- |
| IUPAC Name | 1-propylsulfonylpropan-2-one |
| InChI | InChI=1S/C6H12O3S/c1-3-4-10(8,9)5-6(2)7/h3-5H2,1-2H3 |
| InChI Key | GIBVRWNWIPWWSI-UHFFFAOYSA-N |
| MDL Number | MFCD00206664 |
| Molecular Formula | C6H12O3S |
| Molecular Weight | 164.2227 |
| SMILES | CC(CS(=O)(CCC)=O)=O |
| Synonyms | 1-(Propylsulfonyl)propan-2-one,
91313-63-2,
1-(propane-1-sulfonyl)propan-2-one,
n-Propylsulfonyl-2-propanone,
1-(propane-1-sulfonyl)-propan-2-one,
AC1LAXMO,
1-propylsulfonylpropan-2-one,
2-Propanone, 1-(propylsulfonyl)-,
MFCD00206664,
ZINC32156575,
AKOS013970453,
AS-41130,
CID522977,
1-(propylsulfonyl)propan-2-one, 95% - 1G 1g,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.219g/mol |
| Monoisotopic Mass | 164.051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number