| CAS Number | 933696-84-5 |
| Catalog Number | AG01BDDI(AGN-PC-0WOR3H) |
| Chemical Name | 2-Ethoxy-6-methylpyridine-3-carboxylic acid |
| IUPAC Name | 2-ethoxy-6-methylpyridine-3-carboxylic acid |
| InChI | InChI=1S/C9H11NO3/c1-3-13-8-7(9(11)12)5-4-6(2)10-8/h4-5H,3H2,1-2H3,(H,11,12) |
| InChI Key | LRADPBWSEZBEGF-UHFFFAOYSA-N |
| MDL Number | MFCD16852852 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | CCOC1=C(C(O)=O)C=CC(C)=N1 |
| Synonyms | 2-ethoxy-6-methylpyridine-3-carboxylic acid,
933696-84-5,
2-Ethoxy-6-methylnicotinic acid,
SCHEMBL1313799,
ZINC54552780,
AKOS011996460,
MCULE-9395780971,
NE30666,
Z1837073420,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.191g/mol |
| Monoisotopic Mass | 181.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number