| CAS Number | 175230-30-5 |
| Catalog Number | AG01DYVD(AGN-PC-0QAQYP) |
| Chemical Name | Methyl 2-cyclohexyl-3-oxobutanoate |
| IUPAC Name | methyl 2-cyclohexyl-3-oxobutanoate |
| InChI | InChI=1S/C11H18O3/c1-8(12)10(11(13)14-2)9-6-4-3-5-7-9/h9-10H,3-7H2,1-2H3 |
| InChI Key | NUGGQIWQPPASAV-UHFFFAOYSA-N |
| MDL Number | MFCD03424756 |
| Molecular Formula | C11H18O3 |
| Molecular Weight | 198.2588 |
| SMILES | COC(C(C(C)=O)C1CCCCC1)=O |
| Synonyms | methyl 2-cyclohexyl-3-oxobutanoate,
175230-30-5,
AC1MBX59,
SCHEMBL9488672,
CTK6I7324,
AKOS021256583,
2-Cyclohexyl-3-oxobutanoic acid methyl ester,
2-CYCLOHEXYL-3-OXO-BUTYRIC ACID METHYL ESTER,
ZINC04254092,
CID2757994,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.262g/mol |
| Monoisotopic Mass | 198.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number