| CAS Number | 1876-15-9 |
| Catalog Number | AG01DZ6J |
| Chemical Name | 3-Acetylquinoline-4-carboxylic acid |
| IUPAC Name | 3-acetylquinoline-4-carboxylic acid |
| InChI | InChI=1S/C12H9NO3/c1-7(14)9-6-13-10-5-3-2-4-8(10)11(9)12(15)16/h2-6H,1H3,(H,15,16) |
| InChI Key | QAATYLLDIDZHOJ-UHFFFAOYSA-N |
| MDL Number | MFCD03196270 |
| Molecular Formula | C12H9NO3 |
| Molecular Weight | 215.2048 |
| SMILES | CC(=O)C1=C(C2=CC=CC=C2N=C1)C(=O)O |
| Synonyms | 3-acetylquinoline-4-carboxylic Acid,
3-acetyl-quinoline-4-carboxylic acid,
1876-15-9,
67139-81-5,
AC1MBT82,
SCHEMBL9630659,
CTK7I6285,
QAATYLLDIDZHOJ-UHFFFAOYSA-N,
3-acetyl-4-quinolinecarboxylic acid,
ZINC2390462,
MFCD03196270,
AKOS004114642,
BB 0221174,
3-acetyl-quinoline-4-carboxylic acid, AldrichCPR,
CID2756287,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.208g/mol |
| Monoisotopic Mass | 215.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number