| CAS Number | 1256792-12-7 |
| Catalog Number | AG000OD9(AGN-PC-0WNJUF) |
| Chemical Name | 2-Pyridinecarbonitrile, 5-methoxy-3-methyl- |
| IUPAC Name | 5-methoxy-3-methylpyridine-2-carbonitrile |
| InChI | InChI=1S/C8H8N2O/c1-6-3-7(11-2)5-10-8(6)4-9/h3,5H,1-2H3 |
| InChI Key | DZMOOZGVHAPCHF-UHFFFAOYSA-N |
| MDL Number | MFCD18255402 |
| Molecular Formula | C8H8N2O |
| Molecular Weight | 148.1619 |
| SMILES | COC=1C=C(C(=NC1)C#N)C |
| Synonyms | 5-METHOXY-3-METHYLPICOLINONITRILE,
1256792-12-7,
5-Methoxy-3-methyl-pyridine-2-carbonitrile,
5-methoxy-3-methylpyridine-2-carbonitrile,
SCHEMBL10325263,
DZMOOZGVHAPCHF-UHFFFAOYSA-N,
3250AJ,
MFCD18255402,
ZINC95803755,
FCH1190336,
AS-41833,
AB0081108,
AX8277928,
2-Pyridinecarbonitrile, 5-methoxy-3-methyl-,
Z-5917,
C8H8N2O,
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| 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