| CAS Number | 1374115-62-4 |
| Catalog Number | AG001396(AGN-PC-0WB2IV) |
| Chemical Name | Pyrazine, 2-ethynyl-5-methoxy- |
| IUPAC Name | 2-ethynyl-5-methoxypyrazine |
| InChI | InChI=1S/C7H6N2O/c1-3-6-4-9-7(10-2)5-8-6/h1,4-5H,2H3 |
| InChI Key | CGBDPVUIUFCVQS-UHFFFAOYSA-N |
| MDL Number | MFCD22199320 |
| Molecular Formula | C7H6N2O |
| Molecular Weight | 134.1353 |
| SMILES | COc1cnc(cn1)C#C |
| Synonyms | 2-ethynyl-5-methoxypyrazine,
1374115-62-4,
KS-00002AEX,
Pyrazine, 2-ethynyl-5-methoxy-,
(5-Methoxypyrazin-2-yl)acetylene,
2-Ethynyl-5-methoxy-1,4-diazine,
5-Ethynylpyrazin-2-yl methyl ether,
MFCD22199320,
ZINC72265968,
AKOS026675518,
PS-5395,
K-4433,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 134.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 134.138g/mol |
| Monoisotopic Mass | 134.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
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