| CAS Number | 1355196-92-7 |
| Catalog Number | AG01DH66(AGN-PC-0WNVZ5) |
| Chemical Name | 4-methyl-6-oxo-1H-pyridine-3-carbonitrile |
| IUPAC Name | 4-methyl-6-oxo-1H-pyridine-3-carbonitrile |
| InChI | InChI=1S/C7H6N2O/c1-5-2-7(10)9-4-6(5)3-8/h2,4H,1H3,(H,9,10) |
| InChI Key | PBRZCKJEHNZIPP-UHFFFAOYSA-N |
| MDL Number | MFCD20259123 |
| Molecular Formula | C7H6N2O |
| Molecular Weight | 134.1353 |
| SMILES | Cc1cc(=O)[nH]cc1C#N |
| Synonyms | 6-Hydroxy-4-methylnicotinonitrile,
1355196-92-7,
6-Hydroxy-4-methyl-nicotinonitrile,
SCHEMBL9764288,
ZINC72223752,
AK339297,
DS-12627,
CS-0061285,
4-Methyl-6-oxo-1,6-dihydropyridine-3-carbonitrile,
ACN-054498,
4-methyl-6-oxo-1H-pyridine-3-carbonitrile,
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| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 134.048013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 134.14g/mol |
| Monoisotopic Mass | 134.048013g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number