| CAS Number | 5515-77-5 |
| Catalog Number | AG01BJ1G(AGN-PC-0N15Y6) |
| Chemical Name | 4-ethylcyclohex-2-en-1-one |
| IUPAC Name | 4-ethylcyclohex-2-en-1-one |
| InChI | InChI=1S/C8H12O/c1-2-7-3-5-8(9)6-4-7/h3,5,7H,2,4,6H2,1H3 |
| InChI Key | RSOCZSPPRPTGTM-UHFFFAOYSA-N |
| MDL Number | MFCD24688848 |
| Molecular Formula | C8H12O |
| Molecular Weight | 124.1803 |
| SMILES | CCC1C=CC(=O)CC1 |
| Synonyms | 4-Ethylcyclohex-2-enone,
5515-77-5,
4-ethylcyclohex-2-en-1-one,
4-Ethyl-2-cyclohexene-1-one,
SCHEMBL4099579,
4-ethyl-2-cyclohexen-1-one,
CID10975482,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 124.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 124.183g/mol |
| Monoisotopic Mass | 124.089g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number