| CAS Number | 1235439-64-1 |
| Catalog Number | AG01A863(AGN-PC-0WO80F) |
| Chemical Name | 1-methanesulfonylcyclopentane-1-carboxylic acid |
| IUPAC Name | 1-methylsulfonylcyclopentane-1-carboxylic acid |
| InChI | InChI=1S/C7H12O4S/c1-12(10,11)7(6(8)9)4-2-3-5-7/h2-5H2,1H3,(H,8,9) |
| InChI Key | IFMFSZSZOPWEIH-UHFFFAOYSA-N |
| MDL Number | MFCD16040005 |
| Molecular Formula | C7H12O4S |
| Molecular Weight | 192.2328 |
| SMILES | CS(C1(C(O)=O)CCCC1)(=O)=O |
| Synonyms | 1-methanesulfonylcyclopentane-1-carboxylic acid,
1235439-64-1,
1-(Methylsulfonyl)cyclopentane-1-carboxylic acid,
AC1Q4GFT,
ZINC47843830,
AKOS011379708,
MCULE-1470076190,
NE50636,
NCGC00341594-01,
EN300-60831,
AB01333751-02,
Z992717006,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.229g/mol |
| Monoisotopic Mass | 192.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number