| CAS Number | 103854-56-4 |
| Catalog Number | AG008UB4(AGN-PC-00P1PW) |
| Chemical Name | 1-Quinolin-5-ylethanone |
| IUPAC Name | 1-quinolin-5-ylethanone |
| InChI | InChI=1S/C11H9NO/c1-8(13)9-4-2-6-11-10(9)5-3-7-12-11/h2-7H,1H3 |
| InChI Key | YSGOYTDRBSUDIA-UHFFFAOYSA-N |
| MDL Number | MFCD09754106 |
| Molecular Formula | C11H9NO |
| Molecular Weight | 171.1953 |
| SMILES | N1=CC=CC2=C(C=CC=C12)C(C)=O |
| Synonyms | 1-(Quinolin-5-yl)ethanone,
103854-56-4,
1-Quinolin-5-ylethanone,
5-Acetylquinoline,
1-(Quinolin-5-yl)ethan-1-one,
5-acetyl-quinoline,
SCHEMBL827107,
CTK5J9777,
DTXSID80572179,
YSGOYTDRBSUDIA-UHFFFAOYSA-N,
Ketone, methyl 5-quinolyl (6CI),
ZINC26441096,
AKOS006326501,
QC-3392,
RP02660,
AJ-82330,
TR-039352,
Y6885,
W-204512,
C11H9NO,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.199g/mol |
| Monoisotopic Mass | 171.068g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number