| CAS Number | 1962973-02-9 |
| Catalog Number | AG019EQ8 |
| Chemical Name | methyl 6-(2-hydroxy-2-methylpropyl)pyridine-3-carboxylate |
| IUPAC Name | methyl 6-(2-hydroxy-2-methylpropyl)pyridine-3-carboxylate |
| InChI | InChI=1S/C11H15NO3/c1-11(2,14)6-9-5-4-8(7-12-9)10(13)15-3/h4-5,7,14H,6H2,1-3H3 |
| InChI Key | FLDCWMAHFRBXQO-UHFFFAOYSA-N |
| MDL Number | MFCD11139308 |
| Molecular Formula | C11H15NO3 |
| Molecular Weight | 209.2417 |
| SMILES | COC(C1=CN=C(CC(O)(C)C)C=C1)=O |
| Synonyms | methyl 6-(2-hydroxy-2-methylpropyl)nicotinate,
1962973-02-9,
SCHEMBL17893894,
MFCD28559208,
AKOS030632068,
ZINC216078875,
CS-0062209,
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| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.245g/mol |
| Monoisotopic Mass | 209.105g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number