| CAS Number | 1249197-58-7 |
| Catalog Number | AG00ITOQ(AGN-PC-0WB2F9) |
| Chemical Name | 1-methanesulfonylcyclopropane-1-carboxylic acid |
| IUPAC Name | 1-methylsulfonylcyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C5H8O4S/c1-10(8,9)5(2-3-5)4(6)7/h2-3H2,1H3,(H,6,7) |
| InChI Key | SSESRMFTJIQDNB-UHFFFAOYSA-N |
| MDL Number | MFCD16766463 |
| Molecular Formula | C5H8O4S |
| Molecular Weight | 164.1796 |
| SMILES | CS(=O)(=O)C1(CC1)C(=O)O |
| Synonyms | 1249197-58-7,
1-methanesulfonylcyclopropane-1-carboxylic acid,
1-(Methylsulfonyl)cyclopropanecarboxylic acid,
1-(METHYLSULFONYL)CYCLOPROPANE-1-CARBOXYLIC ACID,
1-methylsulfonylcyclopropane-1-carboxylic acid,
SCHEMBL3714980,
MFCD16766463,
ZINC52788876,
AKOS011762901,
MCULE-2230820430,
methanesulfonylcyclopropanecarboxylicacid,
NF-0711,
RP10310,
KS-000029S5,
Z1945708484,
1-Methanesulfonyl-cyclopropanecarboxylic acid,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.175g/mol |
| Monoisotopic Mass | 164.014g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number