| CAS Number | 1065094-07-6 |
| Catalog Number | AG0093KW(AGN-PC-0WR0CW) |
| Chemical Name | 6-tert-Butyl-4-hydroxy-quinoline-3-carboxylic acid |
| IUPAC Name | 6-tert-butyl-4-oxo-1H-quinoline-3-carboxylic acid |
| InChI | InChI=1S/C14H15NO3/c1-14(2,3)8-4-5-11-9(6-8)12(16)10(7-15-11)13(17)18/h4-7H,1-3H3,(H,15,16)(H,17,18) |
| InChI Key | HZDOTDHRGIDSHM-UHFFFAOYSA-N |
| MDL Number | MFCD09743958 |
| Molecular Formula | C14H15NO3 |
| Molecular Weight | 245.2738 |
| SMILES | CC(C1=CC2=C(N=CC(=C2O)C(O)=O)C=C1)(C)C |
| Synonyms | 1027546-34-4,
6-tert-Butyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid,
6-tert-Butyl-4-hydroxy-quinoline-3-carboxylic acid,
1065094-07-6,
6-(tert-Butyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid,
SCHEMBL2054607,
ZINC35731175,
AKOS009581027,
AKOS027430570,
Z-9235,
Z-9236,
CID11974621,
4-oxo-6-tert-butyl-1H-quinoline-3-carboxylic Acid,
6-tert-Butyl-4-hydroxy- quinoline-3-carboxylic acid,
|
| Complexity | 406 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.278g/mol |
| Monoisotopic Mass | 245.105g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number