| CAS Number | 90833-78-6 |
| Catalog Number | AG01EYZX(AGN-PC-0OMGXZ) |
| Chemical Name | 2-Methyl-3-phenylquinoxaline-7-carboxylic acid |
| IUPAC Name | 3-methyl-2-phenylquinoxaline-6-carboxylic acid |
| InChI | InChI=1S/C16H12N2O2/c1-10-15(11-5-3-2-4-6-11)18-13-8-7-12(16(19)20)9-14(13)17-10/h2-9H,1H3,(H,19,20) |
| InChI Key | HFIKXJHFFUAPGD-UHFFFAOYSA-N |
| MDL Number | MFCD28166219 |
| Molecular Formula | C16H12N2O2 |
| Molecular Weight | 264.2787 |
| SMILES | C1(C(=O)O)=CC=C2N=C(C3C=CC=CC=3)C(C)=NC2=C1 |
| Synonyms | 3-methyl-2-phenylquinoxaline-6-carboxylic acid,
90833-78-6,
2-Methyl-3-phenylquinoxaline-7-carboxylic acid,
CHEMBL3718997,
SCHEMBL15665964,
HFIKXJHFFUAPGD-UHFFFAOYSA-N,
AKOS027446118,
ZINC144468402,
2-Methyl-3-phenylquinoxaline-7-carboxylic acid, AldrichCPR,
|
| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.284g/mol |
| Monoisotopic Mass | 264.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number