| CAS Number | 1289194-02-0 |
| Catalog Number | AG009Y4I(AGN-PC-0WB0SR) |
| Chemical Name | 5-Methyl-6-oxo-1,6-dihydropyridine-3-carboxaldehyde |
| IUPAC Name | 5-methyl-6-oxo-1H-pyridine-3-carbaldehyde |
| InChI | InChI=1S/C7H7NO2/c1-5-2-6(4-9)3-8-7(5)10/h2-4H,1H3,(H,8,10) |
| InChI Key | RZSDICQRAWACOU-UHFFFAOYSA-N |
| MDL Number | MFCD21087785 |
| Molecular Formula | C7H7NO2 |
| Molecular Weight | 137.1360 |
| SMILES | CC1=CC(=CNC1=O)C=O |
| Synonyms | 6-hydroxy-5-methylnicotinaldehyde,
1289194-02-0,
6-hydroxy-5-methylpyridine-3-carbaldehyde,
5-Methyl-6-oxo-1,6-dihydropyridine-3-carbaldehyde,
SCHEMBL18075211,
ZINC72222705,
AKOS018444097,
CM10161,
LH-0725,
KS-000027L0,
F1957-0265,
N/A,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 137.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 137.138g/mol |
| Monoisotopic Mass | 137.048g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number