| CAS Number | 893643-33-9 |
| Catalog Number | AG01A3SS(AGN-PC-0WC0CR) |
| Chemical Name | Ethyl 4-cyclohexyl-2,4-dioxobutanoate |
| IUPAC Name | ethyl 4-cyclohexyl-2,4-dioxobutanoate |
| InChI | InChI=1S/C12H18O4/c1-2-16-12(15)11(14)8-10(13)9-6-4-3-5-7-9/h9H,2-8H2,1H3 |
| InChI Key | AENZJLQZKJPTQT-UHFFFAOYSA-N |
| MDL Number | MFCD08700413 |
| Molecular Formula | C12H18O4 |
| Molecular Weight | 226.2689 |
| SMILES | CCOC(=O)C(=O)CC(=O)C1CCCCC1 |
| Synonyms | ETHYL 4-CYCLOHEXYL-2,4-DIOXOBUTANOATE,
893643-33-9,
ARONIS023616,
SCHEMBL1739339,
DTXSID90629668,
AENZJLQZKJPTQT-UHFFFAOYSA-N,
SBB080390,
ZINC26544797,
AKOS004115491,
MCULE-5838666134,
NE26803,
TR-057199,
BB 0260571,
4-Cyclohexyl-2,4-dioxo-butyric acid ethyl ester,
N/A,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.272g/mol |
| Monoisotopic Mass | 226.121g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 60.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number