| CAS Number | 1518007-17-4 |
| Catalog Number | AG01BEB5(AGN-PC-0WOVKI) |
| Chemical Name | 2-ethoxy-4-methylpyridine-3-carboxylic acid |
| IUPAC Name | 2-ethoxy-4-methylpyridine-3-carboxylic acid |
| InChI | InChI=1S/C9H11NO3/c1-3-13-8-7(9(11)12)6(2)4-5-10-8/h4-5H,3H2,1-2H3,(H,11,12) |
| InChI Key | AKQURFZWBOUBBN-UHFFFAOYSA-N |
| MDL Number | MFCD24156251 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | CCOC1=C(C(O)=O)C(C)=CC=N1 |
| Synonyms | 2-ethoxy-4-methylpyridine-3-carboxylic acid,
1518007-17-4,
SCHEMBL16041735,
2-Ethoxy-4-methylnicotinic acid,
ZINC98095612,
AKOS020319988,
MCULE-9422100797,
NE53921,
Z1868316789,
|
| 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