| CAS Number | 4094-63-7 |
| Catalog Number | AG01BGT9(AGN-PC-0WOUF7) |
| Chemical Name | 3-cyclohexyl-3-methylbutanoic acid |
| IUPAC Name | 3-cyclohexyl-3-methylbutanoic acid |
| InChI | InChI=1S/C11H20O2/c1-11(2,8-10(12)13)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3,(H,12,13) |
| InChI Key | JCXGQIWLPQIURF-UHFFFAOYSA-N |
| MDL Number | MFCD20650734 |
| Molecular Formula | C11H20O2 |
| Molecular Weight | 184.2753 |
| SMILES | CC(C1CCCCC1)(CC(O)=O)C |
| Synonyms | 3-cyclohexyl-3-methylbutanoic acid,
4094-63-7,
ZINC83823007,
AKOS017531690,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.279g/mol |
| Monoisotopic Mass | 184.146g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number