| CAS Number | 103907-10-4 |
| Catalog Number | AG009SJG(AGN-PC-0ALW3L) |
| Chemical Name | 4-Methylquinoline-3-carboxylic acid |
| IUPAC Name | 4-methylquinoline-3-carboxylic acid |
| InChI | InChI=1S/C11H9NO2/c1-7-8-4-2-3-5-10(8)12-6-9(7)11(13)14/h2-6H,1H3,(H,13,14) |
| InChI Key | DVUSXQGMZHRAPP-UHFFFAOYSA-N |
| MDL Number | MFCD18448148 |
| Molecular Formula | C11H9NO2 |
| Molecular Weight | 187.1947 |
| SMILES | CC1=C2C(C=CC=C2)=NC=C1C(O)=O |
| Synonyms | 4-methylquinoline-3-carboxylic acid,
103907-10-4,
3-Quinolinecarboxylicacid, 4-methyl-,
ACMC-20m6pg,
SCHEMBL14472404,
CTK0H2509,
DTXSID10717233,
4-Methyl-3-quinolinecarboxylic acid,
ZINC72283301,
AKOS006320485,
MCULE-5675976940,
NE48127,
3-Quinolinecarboxylicacid,4-methyl-(6CI),
Z1335657683,
3-Quinolinecarboxylic acid, 4-methyl- (6CI),
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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