| CAS Number | 92513-36-5 |
| Catalog Number | AG00GT5L(AGN-PC-01A9EW) |
| Chemical Name | 6-Ethyl-2-methylquinoline-3-carboxylic acid |
| IUPAC Name | 6-ethyl-2-methylquinoline-3-carboxylic acid |
| InChI | InChI=1S/C13H13NO2/c1-3-9-4-5-12-10(6-9)7-11(13(15)16)8(2)14-12/h4-7H,3H2,1-2H3,(H,15,16) |
| InChI Key | WZUBVPVDDWQDFN-UHFFFAOYSA-N |
| MDL Number | MFCD08437576 |
| Molecular Formula | C13H13NO2 |
| Molecular Weight | 215.2478 |
| SMILES | CCC1=CC=C2N=C(C)C(=CC2=C1)C(O)=O |
| Synonyms | 6-Ethyl-2-methylquinoline-3-carboxylic acid,
92513-36-5,
CTK5H1338,
DTXSID70588885,
QU110,
MFCD08437576,
ZINC15015283,
AKOS000351253,
AB45130,
OR307845,
PS-11148,
DB-079310,
FT-0711175,
T6755,
6-Ethyl-2-methylquinoline-3-carboxylic acid, AldrichCPR,
6-ETHYL-2-METHYLQUINOLINE-3-CARBOXYLICACID,
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| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.252g/mol |
| Monoisotopic Mass | 215.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number