| CAS Number | 1393442-25-5 |
| Catalog Number | AG009WSR(AGN-PC-0WAE0W) |
| Chemical Name | Methyl 6-(3,5-dimethylphenyl)pyridine-2-carboxylate |
| IUPAC Name | methyl 6-(3,5-dimethylphenyl)pyridine-2-carboxylate |
| InChI | InChI=1S/C15H15NO2/c1-10-7-11(2)9-12(8-10)13-5-4-6-14(16-13)15(17)18-3/h4-9H,1-3H3 |
| InChI Key | DPBZSEVBQICUCW-UHFFFAOYSA-N |
| MDL Number | MFCD11045117 |
| Molecular Formula | C15H15NO2 |
| Molecular Weight | 241.2851 |
| SMILES | COC(=O)c1cccc(n1)c1cc(C)cc(c1)C |
| Synonyms | Methyl 6-(3,5-dimethylphenyl)pyridine-2-carboxylate,
1393442-25-5,
Methyl 6-(3,5-dimethylphenyl)picolinate,
ZINC95495653,
V2935,
B-9124,
C15H15NO2,
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| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.29g/mol |
| Monoisotopic Mass | 241.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number