| CAS Number | 948291-17-6 |
| Catalog Number | AG006S0W(AGN-PC-01A9QG) |
| Chemical Name | 7-Methylquinoline-3-carboxylic acid |
| IUPAC Name | 7-methylquinoline-3-carboxylic acid |
| InChI | InChI=1S/C11H9NO2/c1-7-2-3-8-5-9(11(13)14)6-12-10(8)4-7/h2-6H,1H3,(H,13,14) |
| InChI Key | QJHXTZODJCAGBE-UHFFFAOYSA-N |
| MDL Number | MFCD09787877 |
| Molecular Formula | C11H9NO2 |
| Molecular Weight | 187.1947 |
| SMILES | CC1=CC2=C(C=C(C(O)=O)C=N2)C=C1 |
| Synonyms | 7-Methylquinoline-3-carboxylic acid,
948291-17-6,
SCHEMBL10473057,
CTK8E5544,
DTXSID50589178,
FCH836473,
MFCD09787877,
ZINC32099649,
AKOS006282114,
AB52449,
OR309231,
DB-080062,
RT-010853,
FT-0721703,
T6799,
7-methylquinoline-3-carboxylic acid, AldrichCPR,
7-METHYLQUINOLINE-3-CARBOXYLICACID,
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| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.198g/mol |
| Monoisotopic Mass | 187.063g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number