| CAS Number | 738545-14-7 |
| Catalog Number | AG01DWN2 |
| Chemical Name | 2-ethyl-4,6-dimethylpyrimidine-5-carboxylic acid |
| IUPAC Name | 2-ethyl-4,6-dimethylpyrimidine-5-carboxylic acid |
| InChI | InChI=1S/C9H12N2O2/c1-4-7-10-5(2)8(9(12)13)6(3)11-7/h4H2,1-3H3,(H,12,13) |
| InChI Key | SADLLMZNXHMVNS-UHFFFAOYSA-N |
| MDL Number | MFCD16868505 |
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.2038 |
| SMILES | CCC1=NC(C)=C(C(O)=O)C(C)=N1 |
| Synonyms | 2-ETHYL-4,6-DIMETHYL-5-PYRIMIDINECARBOXYLIC ACID,
738545-14-7,
AKOS012039711,
2-ethyl-4,6-dimethylpyrimidine-5-carboxylic acid,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.207g/mol |
| Monoisotopic Mass | 180.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number