| CAS Number | 763893-29-4 |
| Catalog Number | AG005Y4M(AGN-PC-002C84) |
| Chemical Name | 5,8-Dimethylquinoline-3-carboxylic acid |
| IUPAC Name | 5,8-dimethylquinoline-3-carboxylic acid |
| InChI | InChI=1S/C12H11NO2/c1-7-3-4-8(2)11-10(7)5-9(6-13-11)12(14)15/h3-6H,1-2H3,(H,14,15) |
| InChI Key | MXKOVYWLTMCDMM-UHFFFAOYSA-N |
| MDL Number | MFCD09787777 |
| Molecular Formula | C12H11NO2 |
| Molecular Weight | 201.2212 |
| SMILES | O=C(C1=CC2=C(C)C=CC(C)=C2N=C1)O |
| Synonyms | 5,8-Dimethylquinoline-3-carboxylic acid,
763893-29-4,
SCHEMBL7681923,
CTK8E5139,
DTXSID70562887,
MFCD09787777,
ZINC32099495,
AKOS022343560,
AB52216,
OR307990,
DB-075125,
RT-010026,
FT-0766433,
T6657,
5,8-Dimethylquinoline-3-carboxylic acid, AldrichCPR,
5,8-DIMETHYLQUINOLINE-3-CARBOXYLICACID,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.225g/mol |
| Monoisotopic Mass | 201.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number