| CAS Number | 512197-92-1 |
| Catalog Number | AG00DHDY(AGN-PC-0MUZS0) |
| Chemical Name | Pyridine, 2-ethynyl-6-methoxy- (9CI) |
| IUPAC Name | 2-ethynyl-6-methoxypyridine |
| InChI | InChI=1S/C8H7NO/c1-3-7-5-4-6-8(9-7)10-2/h1,4-6H,2H3 |
| InChI Key | JKYLJFFXJQWGTL-UHFFFAOYSA-N |
| MDL Number | MFCD11109683 |
| Molecular Formula | C8H7NO |
| Molecular Weight | 133.1473 |
| SMILES | C#CC1=CC=CC(=N1)OC |
| Synonyms | 2-ETHYNYL-6-METHOXYPYRIDINE,
512197-92-1,
Pyridine, 2-ethynyl-6-methoxy- (9CI),
pyridine,2-ethynyl-6-methoxy-,
SCHEMBL6161278,
CTK8I9555,
DTXSID90432154,
MFCD11109683,
ZINC39049085,
AKOS006306659,
MCULE-5596969322,
CS-0037747,
F-5057,
Z1354416074,
2-ethynyl-6-methoxy-pyridine,
CID9877376,
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| 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 |
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Certificate of Analysis
Lot Number