| CAS Number | 948290-70-8 |
| Catalog Number | AG006S0Z(AGN-PC-01A9Q7) |
| Chemical Name | 7-Ethylquinoline-3-carboxylic acid |
| IUPAC Name | 7-ethylquinoline-3-carboxylic acid |
| InChI | InChI=1S/C12H11NO2/c1-2-8-3-4-9-6-10(12(14)15)7-13-11(9)5-8/h3-7H,2H2,1H3,(H,14,15) |
| InChI Key | WJMGUVPYUJSNMI-UHFFFAOYSA-N |
| MDL Number | MFCD09787862 |
| Molecular Formula | C12H11NO2 |
| Molecular Weight | 201.2212 |
| SMILES | CCc1ccc2c(c1)ncc(c2)C(=O)O |
| Synonyms | 7-Ethylquinoline-3-carboxylic acid,
948290-70-8,
CTK8E5524,
DTXSID60589169,
MFCD09787862,
ZINC32099626,
AKOS030559465,
AB52405,
OR309226,
DB-080056,
RT-010811,
FT-0765905,
T6794,
7-ETHYLQUINOLINE-3-CARBOXYLICACID,
|
| Complexity | 242 |
| 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 | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number