| CAS Number | 1178202-86-2 |
| Catalog Number | AG01A9ZD |
| Chemical Name | 2-(Cyclohexanesulfonyl)-3-methylbutanoic acid |
| IUPAC Name | 2-cyclohexylsulfonyl-3-methylbutanoic acid |
| InChI | InChI=1S/C11H20O4S/c1-8(2)10(11(12)13)16(14,15)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,12,13) |
| InChI Key | RZCUHVRKXPGBBB-UHFFFAOYSA-N |
| MDL Number | MFCD12801104 |
| Molecular Formula | C11H20O4S |
| Molecular Weight | 248.3391 |
| SMILES | CC(C(S(C1CCCCC1)(=O)=O)C(O)=O)C |
| Synonyms | 2-(cyclohexanesulfonyl)-3-methylbutanoic acid,
1178202-86-2,
AC1Q1O1D,
AKOS008140544,
MCULE-8834081572,
NE37164,
EN300-66614,
Z1178484516,
|
| Complexity | 334 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.337g/mol |
| Monoisotopic Mass | 248.108g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number