| CAS Number | 1375473-39-4 |
| Catalog Number | AG019TJQ(AGN-PC-0WH9EG) |
| Chemical Name | 2-[1-(Methanesulfonylmethyl)cyclopropyl]acetic acid |
| IUPAC Name | 2-[1-(methylsulfonylmethyl)cyclopropyl]acetic acid |
| InChI | InChI=1S/C7H12O4S/c1-12(10,11)5-7(2-3-7)4-6(8)9/h2-5H2,1H3,(H,8,9) |
| InChI Key | DRORZNJBYJYRDJ-UHFFFAOYSA-N |
| MDL Number | MFCD00215675 |
| Molecular Formula | C7H12O4S |
| Molecular Weight | 192.2328 |
| SMILES | CS(CC1(CC1)CC(O)=O)(=O)=O |
| Synonyms | 2-[1-(methanesulfonylmethyl)cyclopropyl]acetic acid,
1375473-39-4,
ZINC72266562,
AKOS014778500,
MCULE-8944052341,
NE18800,
2-[1-(Methanesulfonylmethyl)-cyclopropyl]acetic acid,
Z1324054913,
|
| Complexity | 281 |
| 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 | 4 |
| 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