| CAS Number | 481054-87-9 |
| Catalog Number | AG00I8RH(AGN-PC-0NHKK5) |
| Chemical Name | Ethyl 7-methylquinoline-3-carboxylate |
| IUPAC Name | ethyl 7-methylquinoline-3-carboxylate |
| InChI | InChI=1S/C13H13NO2/c1-3-16-13(15)11-7-10-5-4-9(2)6-12(10)14-8-11/h4-8H,3H2,1-2H3 |
| InChI Key | BIOKKBHSLVUSFB-UHFFFAOYSA-N |
| MDL Number | MFCD18205836 |
| Molecular Formula | C13H13NO2 |
| Molecular Weight | 215.2478 |
| SMILES | CCOC(C1=CC2=C(C=C(C=C2)C)N=C1)=O |
| Synonyms | ETHYL 7-METHYLQUINOLINE-3-CARBOXYLATE,
481054-87-9,
3-Quinolinecarboxylic acid, 7-methyl-, ethyl ester,
SCHEMBL8001650,
DTXSID00476246,
ZINC91692632,
AKOS027254582,
7-Methylquinoline-3-carboxylic acid ethyl ester,
|
| Complexity | 254 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.252g/mol |
| Monoisotopic Mass | 215.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number