| CAS Number | 1351825-79-0 |
| Catalog Number | AG00HTXU(AGN-PC-0WAYH7) |
| Chemical Name | 4-methoxy-6-methylquinoline-2-carboxylic acid |
| IUPAC Name | 4-methoxy-6-methylquinoline-2-carboxylic acid |
| InChI | InChI=1S/C12H11NO3/c1-7-3-4-9-8(5-7)11(16-2)6-10(13-9)12(14)15/h3-6H,1-2H3,(H,14,15) |
| InChI Key | YQOFMFVCMYKGKS-UHFFFAOYSA-N |
| MDL Number | MFCD20754676 |
| Molecular Formula | C12H11NO3 |
| Molecular Weight | 217.2206 |
| SMILES | O=C(O)C2(=NC1(=C(C=C(C)C=C1)C(=C2)OC)) |
| Synonyms | 4-methoxy-6-methylquinoline-2-carboxylic acid,
1351825-79-0,
HTS003892,
MFCD20754676,
STL167976,
ZINC71775331,
AKOS005366624,
BS-3249,
MCULE-3005689255,
KS-0000238H,
C12H11NO3,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.224g/mol |
| Monoisotopic Mass | 217.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number