| CAS Number | 1246443-71-9 |
| Catalog Number | AG01A4SD |
| Chemical Name | 4-ethylcyclohexane-1-carbaldehyde |
| IUPAC Name | 4-ethylcyclohexane-1-carbaldehyde |
| InChI | InChI=1S/C9H16O/c1-2-8-3-5-9(7-10)6-4-8/h7-9H,2-6H2,1H3 |
| InChI Key | GJRARBLKMCCJFO-UHFFFAOYSA-N |
| MDL Number | MFCD17170711 |
| Molecular Formula | C9H16O |
| Molecular Weight | 140.2227 |
| SMILES | CCC1CCC(C=O)CC1 |
| Synonyms | 4-ethylcyclohexane-1-carbaldehyde,
167545-47-3,
4-Ethylcyclohexanecarbaldehyde,
1246443-71-9,
Cyclohexanecarboxaldehyde, 4-ethyl-, trans- (9CI),
SCHEMBL2911954,
SCHEMBL11329643,
SCHEMBL14494653,
CTK0H0940,
DTXSID30610813,
GJRARBLKMCCJFO-KYZUINATSA-N,
MFCD17170711,
ZINC39060712,
trans-4-ethylcyclohexane carboaldehyde,
AKOS013567135,
Cyclohexanecarboxaldehyde, 4-ethyl-, trans-,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.226g/mol |
| Monoisotopic Mass | 140.12g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number