| CAS Number | 154874-36-9 |
| Catalog Number | AG01A60H(AGN-PC-0Q6SWI) |
| Chemical Name | Ethyl 3-cyclohexyl-2-methylpropanoate |
| IUPAC Name | ethyl 3-cyclohexyl-2-methylpropanoate |
| InChI | InChI=1S/C12H22O2/c1-3-14-12(13)10(2)9-11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3 |
| InChI Key | PNTXMLPUPBGDPT-UHFFFAOYSA-N |
| MDL Number | MFCD22987457 |
| Molecular Formula | C12H22O2 |
| Molecular Weight | 198.3019 |
| SMILES | CCOC(C(CC1CCCCC1)C)=O |
| Synonyms | ethyl 3-cyclohexyl-2-methylpropanoate,
154874-36-9,
SCHEMBL13889046,
AKOS033165041,
MCULE-1994725623,
NE31504,
2-Methyl-3-cyclohexylpropionic acid ethyl ester,
Z1206252198,
Ethyl 3-cyclohexyl-2-methyl-propanoate,
CID10888891,
alpha-methyl-cyclohexanepropanoic acid, ethyl ester,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.306g/mol |
| Monoisotopic Mass | 198.162g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number