| CAS Number | 22524-25-0 |
| Catalog Number | AG01BTXP(AGN-PC-0NC3JB) |
| Chemical Name | 1-Phenylhex-5-en-1-one |
| IUPAC Name | 1-phenylhex-5-en-1-one |
| InChI | InChI=1S/C12H14O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h2,4,6-9H,1,3,5,10H2 |
| InChI Key | FNMHKQVEFZLMQD-UHFFFAOYSA-N |
| MDL Number | MFCD20354278 |
| Molecular Formula | C12H14O |
| Molecular Weight | 174.239 |
| SMILES | C=CCCCC(C1=CC=CC=C1)=O |
| Synonyms | 1-phenylhex-5-en-1-one,
1-phenyl-hex-5-en-1-one,
1-phenyl-5-hexen-1-one,
22524-25-0,
SCHEMBL2745649,
ZINC71276057,
AKOS013636181,
AS-44102,
Z2768769353,
CID10877633,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.243g/mol |
| Monoisotopic Mass | 174.104g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number