| CAS Number | 149489-09-8 |
| Catalog Number | AG001LQR(AGN-PC-038O3S) |
| Chemical Name | 2-(3-Methoxypyridin-2-yl)acetonitrile |
| IUPAC Name | 2-(3-methoxypyridin-2-yl)acetonitrile |
| InChI | InChI=1S/C8H8N2O/c1-11-8-3-2-6-10-7(8)4-5-9/h2-3,6H,4H2,1H3 |
| InChI Key | OJYATSHMGUIGBW-UHFFFAOYSA-N |
| MDL Number | MFCD09834360 |
| Molecular Formula | C8H8N2O |
| Molecular Weight | 148.1619 |
| SMILES | COC1=C(CC#N)N=CC=C1 |
| Synonyms | 2-(3-methoxypyridin-2-yl)acetonitrile,
149489-09-8,
(3-Methoxypyridin-2-yl)acetonitrile,
SCHEMBL535013,
3-Methoxypyridine-2-acetonitrile,
DTXSID80611451,
3-methoxy-2-pyridine acetonitrile,
OJYATSHMGUIGBW-UHFFFAOYSA-N,
2-Pyridineacetonitrile, 3-methoxy-,
2-[(3-methoxy)pyridyl]acetonitrile,
ZINC35567325,
AKOS006329170,
RL01899,
AJ-91437,
J-505811,
2-Pyridineacetonitrile,3-methoxy-,
2-Pyridineacetonitrile, 3-methoxy- (9CI),
|
| Complexity | 161 |
| 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 | 2 |
| Topological Polar Surface Area | 45.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H312-H332
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Packing Group
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Precautionary statements
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P280
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UN Code
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Certificate of Analysis
Lot Number