| CAS Number | 890302-07-5 |
| Catalog Number | AG019LNJ(AGN-PC-0WO3XX) |
| Chemical Name | 5-(Ethoxycarbonyl)-6-methylpyridine-2-carboxylic acid |
| IUPAC Name | 5-ethoxycarbonyl-6-methylpyridine-2-carboxylic acid |
| InChI | InChI=1S/C10H11NO4/c1-3-15-10(14)7-4-5-8(9(12)13)11-6(7)2/h4-5H,3H2,1-2H3,(H,12,13) |
| InChI Key | AEIKVEPDWZNINS-UHFFFAOYSA-N |
| MDL Number | MFCD09971576 |
| Molecular Formula | C10H11NO4 |
| Molecular Weight | 209.1986 |
| SMILES | CCOC(C1=C(C)N=C(C(O)=O)C=C1)=O |
| Synonyms | 5-(ethoxycarbonyl)-6-methylpyridine-2-carboxylic acid,
890302-07-5,
AC1Q32F8,
SCHEMBL5264863,
CTK6F6568,
ZINC13013677,
AKOS008110195,
MCULE-4300952527,
NE51701,
EN300-31873,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.201g/mol |
| Monoisotopic Mass | 209.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 76.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number