| CAS Number | 1250528-75-6 |
| Catalog Number | AG01BGO3(AGN-PC-0WORBJ) |
| Chemical Name | 1-Methanesulfonylcyclobutane-1-carboxylic acid |
| IUPAC Name | 1-methylsulfonylcyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C6H10O4S/c1-11(9,10)6(5(7)8)3-2-4-6/h2-4H2,1H3,(H,7,8) |
| InChI Key | FJXJEGTTZDOFOK-UHFFFAOYSA-N |
| MDL Number | MFCD16766464 |
| Molecular Formula | C6H10O4S |
| Molecular Weight | 178.2062 |
| SMILES | CS(C1(C(O)=O)CCC1)(=O)=O |
| Synonyms | 1250528-75-6,
1-methanesulfonylcyclobutane-1-carboxylic acid,
1-(Methylsulfonyl)cyclobutane-1-carboxylic acid,
ZINC52788877,
AKOS011762902,
Z1945704768,
1-Methanesulfonyl-cyclobutanecarboxylic acid,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.202g/mol |
| Monoisotopic Mass | 178.03g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number