| CAS Number | 54198-73-1 |
| Catalog Number | AG01A69N |
| Chemical Name | methyl 2,6-dimethylpyrimidine-4-carboxylate |
| IUPAC Name | methyl 2,6-dimethylpyrimidine-4-carboxylate |
| InChI | InChI=1S/C8H10N2O2/c1-5-4-7(8(11)12-3)10-6(2)9-5/h4H,1-3H3 |
| InChI Key | KXNXDQIBUXYHME-UHFFFAOYSA-N |
| MDL Number | MFCD25970303 |
| Molecular Formula | C8H10N2O2 |
| Molecular Weight | 166.1772 |
| SMILES | CC1=NC(=CC(=N1)C(=O)OC)C |
| Synonyms | methyl 2,6-dimethylpyrimidine-4-carboxylate,
54198-73-1,
SCHEMBL4826028,
ZINC95348117,
NE49338,
F1967-8099,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.18g/mol |
| Monoisotopic Mass | 166.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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