| CAS Number | 59032-71-2 |
| Catalog Number | AG00F249(AGN-PC-03HLO5) |
| Chemical Name | Ethyl 1-ethyl-4-oxocyclohexanecarboxylate |
| IUPAC Name | ethyl 1-ethyl-4-oxocyclohexane-1-carboxylate |
| InChI | InChI=1S/C11H18O3/c1-3-11(10(13)14-4-2)7-5-9(12)6-8-11/h3-8H2,1-2H3 |
| InChI Key | DHQTYJFKOHBZOM-UHFFFAOYSA-N |
| MDL Number | MFCD24396503 |
| Molecular Formula | C11H18O3 |
| Molecular Weight | 198.2588 |
| SMILES | C(=O)(OCC)C1(CC)CCC(=O)CC1 |
| Synonyms | ethyl 1-ethyl-4-oxocyclohexanecarboxylate,
59032-71-2,
Ethyl 1-ethyl-4-oxocyclohexane-1-carboxylate,
SCHEMBL5949812,
DTXSID40619978,
MFCD24396503,
ZINC91368996,
AKOS016845002,
DS-7098,
RL04224,
AK132752,
AJ-131818,
AX8253675,
CS-0061442,
J-520534,
Ethyl1-ethyl-4-oxocyclohexanecarboxylate,
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| Complexity | 223 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number