| CAS Number | 855165-44-5 |
| Catalog Number | AG01AAL4 |
| Chemical Name | 6,7-Dimethyl-2-phenylquinoline-4-carboxylic acid |
| IUPAC Name | 6,7-dimethyl-2-phenylquinoline-4-carboxylic acid |
| InChI | InChI=1S/C18H15NO2/c1-11-8-14-15(18(20)21)10-16(13-6-4-3-5-7-13)19-17(14)9-12(11)2/h3-10H,1-2H3,(H,20,21) |
| InChI Key | KQUUINXPEWKGQO-UHFFFAOYSA-N |
| MDL Number | MFCD17167224 |
| Molecular Formula | C18H15NO2 |
| Molecular Weight | 277.3172 |
| SMILES | CC1=C(C)C=C2C(N=C(C3=CC=CC=C3)C=C2C(O)=O)=C1 |
| Synonyms | 6,7-dimethyl-2-phenylquinoline-4-carboxylic acid,
855165-44-5,
AC1Q2DZP,
CTK7I7095,
ZINC40163687,
AKOS009153574,
MCULE-3776126988,
NE24311,
EN300-68916,
Z1259273151,
|
| Complexity | 377 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.323g/mol |
| Monoisotopic Mass | 277.11g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number