| CAS Number | 110139-48-5 |
| Catalog Number | AG00930X(AGN-PC-01A9GE) |
| Chemical Name | 2,5,8-Trimethylquinoline-3-carboxylic acid ethyl ester |
| IUPAC Name | ethyl 2,5,8-trimethylquinoline-3-carboxylate |
| InChI | InChI=1S/C15H17NO2/c1-5-18-15(17)13-8-12-9(2)6-7-10(3)14(12)16-11(13)4/h6-8H,5H2,1-4H3 |
| InChI Key | LWYDEFRJMPFNGQ-UHFFFAOYSA-N |
| MDL Number | MFCD09787534 |
| Molecular Formula | C15H17NO2 |
| Molecular Weight | 243.3010 |
| SMILES | CCOC(=O)c1cc2c(C)ccc(c2nc1C)C |
| Synonyms | 2,5,8-Trimethylquinoline-3-carboxylic acid ethyl ester,
110139-48-5,
ETHYL 2,5,8-TRIMETHYLQUINOLINE-3-CARBOXYLATE,
CTK8E3522,
DTXSID80588932,
MFCD09787534,
ZINC32099262,
AB51618,
OR307879,
DB-059978,
RT-006825,
FT-0744340,
T6162,
2,5,8-Trimethylquinoline-3-carboxylic acid ethyl ester, AldrichCPR,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.306g/mol |
| Monoisotopic Mass | 243.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number