| CAS Number | 1196145-21-7 |
| Catalog Number | AG0099OW |
| Chemical Name | 3-Ethynyl-2-methoxypyridine |
| IUPAC Name | 3-ethynyl-2-methoxypyridine |
| InChI | InChI=1S/C8H7NO/c1-3-7-5-4-6-9-8(7)10-2/h1,4-6H,2H3 |
| InChI Key | NGVYZIIHZNTDSJ-UHFFFAOYSA-N |
| MDL Number | MFCD13189765 |
| Molecular Formula | C8H7NO |
| Molecular Weight | 133.1473 |
| SMILES | C#CC1=C(OC)N=CC=C1 |
| Synonyms | 3-ethynyl-2-methoxypyridine,
1196145-21-7,
SCHEMBL6018028,
DTXSID00726192,
(2-Methoxypyridin-3-yl)acetylene,
3-Ethynylpyridin-2-yl methyl ether,
ZINC72265970,
AKOS026716052,
AB69070,
AK502294,
F-5049,
F2147-2845,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 133.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 133.15g/mol |
| Monoisotopic Mass | 133.053g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number