| CAS Number | 103854-57-5 |
| Catalog Number | AG009NSF(AGN-PC-01ZM4Q) |
| Chemical Name | Ethanone, 1-(7-quinolinyl)- (9CI) |
| IUPAC Name | 1-quinolin-7-ylethanone |
| InChI | InChI=1S/C11H9NO/c1-8(13)10-5-4-9-3-2-6-12-11(9)7-10/h2-7H,1H3 |
| InChI Key | GYJFYBIYSURMOA-UHFFFAOYSA-N |
| MDL Number | MFCD09754107 |
| Molecular Formula | C11H9NO |
| Molecular Weight | 171.1953 |
| SMILES | N1=CC=CC2=CC=C(C=C12)C(C)=O |
| Synonyms | 1-(Quinolin-7-yl)ethanone,
103854-57-5,
SCHEMBL9360254,
1-(quinolin-7-yl)ethan-1-one,
ZINC26441100,
1-quinolin-7-ylethanone, AldrichCPR,
AKOS006326711,
Ethanone, 1-(7-quinolinyl)- (9CI),
FT-0717654,
|
| 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 | 1.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number