| CAS Number | 243469-66-1 |
| Catalog Number | AG00CGMW(AGN-PC-0R06YF) |
| Chemical Name | 3-Pyridinecarbonitrile,6-methoxy-4-methyl-(9CI) |
| IUPAC Name | 6-methoxy-4-methylpyridine-3-carbonitrile |
| InChI | InChI=1S/C8H8N2O/c1-6-3-8(11-2)10-5-7(6)4-9/h3,5H,1-2H3 |
| InChI Key | LWCBAYCUKHGSAC-UHFFFAOYSA-N |
| MDL Number | MFCD18818953 |
| Molecular Formula | C8H8N2O |
| Molecular Weight | 148.1619 |
| SMILES | COc1ncc(c(c1)C)C#N |
| Synonyms | 6-methoxy-4-methylnicotinonitrile,
243469-66-1,
MFCD18818953,
ZINC39050724,
AK444551,
DS-18810,
6-methoxy-4-methylpyridine-3-carbonitrile,
3-Pyridinecarbonitrile,6-methoxy-4-methyl-(9CI),
ACN-054497,
CID10630664,
6-methoxy-4-methyl-pyridine-3-carbonitrile,
3-Pyridinecarbonitrile, 6-methoxy-4-methyl- (9CI),
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.165g/mol |
| Monoisotopic Mass | 148.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number