| CAS Number | 847837-40-5 |
| Catalog Number | AG019OFR |
| Chemical Name | 2-Ethyl-4-methylquinoline-3-carboxylic acid |
| IUPAC Name | 2-ethyl-4-methylquinoline-3-carboxylic acid |
| InChI | InChI=1S/C13H13NO2/c1-3-10-12(13(15)16)8(2)9-6-4-5-7-11(9)14-10/h4-7H,3H2,1-2H3,(H,15,16) |
| InChI Key | IUFJNWLWHFICKS-UHFFFAOYSA-N |
| MDL Number | MFCD07323952 |
| Molecular Formula | C13H13NO2 |
| Molecular Weight | 215.2478 |
| SMILES | CCC1=C(C(O)=O)C(C)=C2C(C=CC=C2)=N1 |
| Synonyms | 2-ethyl-4-methylquinoline-3-carboxylic acid,
847837-40-5,
AC1NLQZX,
AC1Q2SRC,
CTK6D2717,
HMS1745I21,
ZINC20268275,
AKOS034720036,
MCULE-4487746938,
NE49526,
NCGC00328193-01,
EN300-13851,
AB01323527-02,
2-ETHYL-4-METHYL-3-QUINOLINECARBOXYLIC ACID,
Z94599754,
CID4962687,
2-ethyl-4-methyl-quinoline-3-carboxylic Acid,
|
| 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
Certificate of Analysis
Lot Number