| CAS Number | 30503-12-9 |
| Catalog Number | AG01A9A0(AGN-PC-008LG8) |
| Chemical Name | Oct-7-en-4-one |
| IUPAC Name | oct-7-en-4-one |
| InChI | InChI=1S/C8H14O/c1-3-5-7-8(9)6-4-2/h3H,1,4-7H2,2H3 |
| InChI Key | NPPZHBOHFSDBRW-UHFFFAOYSA-N |
| MDL Number | MFCD11655177 |
| Molecular Formula | C8H14O |
| Molecular Weight | 126.1962 |
| SMILES | CCCC(CCC=C)=O |
| Synonyms | Oct-7-en-4-one,
30503-12-9,
7-octene-4-one,
AC1Q2UFK,
SCHEMBL514867,
ZINC37408503,
AKOS009389665,
MCULE-9846709255,
NE18326,
EN300-64554,
CID11412381,
|
| Complexity | 94.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.199g/mol |
| Monoisotopic Mass | 126.104g/mol |
| Rotatable Bond Count | 5 |
| 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