| CAS Number | 821-75-0 |
| Catalog Number | AG01C12Q(AGN-PC-0NDF18) |
| Chemical Name | Oct-7-ynal |
| IUPAC Name | oct-7-ynal |
| InChI | InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h1,8H,3-7H2 |
| InChI Key | OEPKOGKYPMWNSI-UHFFFAOYSA-N |
| MDL Number | MFCD24673897 |
| Molecular Formula | C8H12O |
| Molecular Weight | 124.1803 |
| SMILES | C(CCCCCC#C)=O |
| Synonyms | Oct-7-ynal,
7-Octynal,
821-75-0,
SCHEMBL2497118,
ZINC82055426,
CID10953495,
|
| Complexity | 107 |
| 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 | 5 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number