| CAS Number | 892874-89-4 |
| Catalog Number | AG00IFML(AGN-PC-0WQXKN) |
| Chemical Name | Ethyl 2,7,8-trimethylquinoline-3-carboxylate |
| IUPAC Name | ethyl 2,7,8-trimethylquinoline-3-carboxylate |
| InChI | InChI=1S/C15H17NO2/c1-5-18-15(17)13-8-12-7-6-9(2)10(3)14(12)16-11(13)4/h6-8H,5H2,1-4H3 |
| InChI Key | UHUXLFRXMAMRHH-UHFFFAOYSA-N |
| MDL Number | MFCD08437593 |
| Molecular Formula | C15H17NO2 |
| Molecular Weight | 243.3010 |
| SMILES | CCOC(=O)C1=C(N=C2C(=C(C=CC2=C1)C)C)C |
| Synonyms | 2,7,8-Trimethyl-3-quinolinecarboxylic acid ethyl ester,
892874-89-4,
Ethyl 2,7,8-trimethylquinoline-3-carboxylate,
CTK6F6134,
DTXSID50588904,
QU150,
ZX-AT011908,
MFCD08437593,
OR3649,
ZINC16123648,
AB45166,
RT-006902,
T6724,
2,7,8-Trimethyl-3-quinolinecarboxylic 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
Certificate of Analysis
Lot Number