| CAS Number | 1370633-62-7 |
| Catalog Number | AG00HUST(AGN-PC-0WNW9T) |
| Chemical Name | 4-Isopropyl-2-methoxypyridine |
| IUPAC Name | 2-methoxy-4-propan-2-ylpyridine |
| InChI | InChI=1S/C9H13NO/c1-7(2)8-4-5-10-9(6-8)11-3/h4-7H,1-3H3 |
| InChI Key | WFZCSVQVJUMZBG-UHFFFAOYSA-N |
| MDL Number | MFCD28014044 |
| Molecular Formula | C9H13NO |
| Molecular Weight | 151.2056 |
| SMILES | COc1nccc(c1)C(C)C |
| Synonyms | 4-Isopropyl-2-methoxypyridine,
1370633-62-7,
SCHEMBL84460,
ZINC113080737,
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| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 151.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.209g/mol |
| Monoisotopic Mass | 151.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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