| CAS Number | 113118-86-8 |
| Catalog Number | AG009UI1(AGN-PC-001OBN) |
| Chemical Name | 5-Methoxy-4-methylnicotinaldehyde |
| IUPAC Name | 5-methoxy-4-methylpyridine-3-carbaldehyde |
| InChI | InChI=1S/C8H9NO2/c1-6-7(5-10)3-9-4-8(6)11-2/h3-5H,1-2H3 |
| InChI Key | ATNJPGOTCZQMBC-UHFFFAOYSA-N |
| MDL Number | MFCD18258389 |
| Molecular Formula | C8H9NO2 |
| Molecular Weight | 151.1626 |
| SMILES | O=CC1=CN=CC(OC)=C1C |
| Synonyms | 5-Methoxy-4-methylnicotinaldehyde,
113118-86-8,
5-methoxy-4-methylpyridine-3-carbaldehyde,
5-Methoxy-4-methylpyridine-3-carboxaldehy,
3-Pyridinecarboxaldehyde, 5-methoxy-4-methyl- (9CI),
MFCD18258389,
ZINC39062129,
AJ-97828,
3-pyridinecarbaldehyde,5-methoxy-4-methyl-,
ST24044843,
Q-8260,
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| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 151.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.165g/mol |
| Monoisotopic Mass | 151.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
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