| CAS Number | 13619-73-3 |
| Catalog Number | AG00AELS(AGN-PC-001OC0) |
| Chemical Name | 3-ethoxycyclohexan-1-one |
| IUPAC Name | 3-ethoxycyclohexan-1-one |
| InChI | InChI=1S/C8H14O2/c1-2-10-8-5-3-4-7(9)6-8/h8H,2-6H2,1H3 |
| InChI Key | PKYLKBLJFGCIGT-UHFFFAOYSA-N |
| MDL Number | MFCD23735150 |
| Molecular Formula | C8H14O2 |
| Molecular Weight | 142.1956 |
| SMILES | C(C)OC1CC(CCC1)=O |
| Synonyms | 3-Ethoxycyclohexanone,
3-ethoxycyclohexan-1-one,
13619-73-3,
Cyclohexanone, 3-ethoxy- (8CI,9CI),
SCHEMBL2704293,
AKOS018175383,
N/A,
|
| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.198g/mol |
| Monoisotopic Mass | 142.099g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number