| CAS Number | 41039-83-2 |
| Catalog Number | AG00C95B(AGN-PC-0WB2IX) |
| Chemical Name | 2-Ethynyl-3-methylpyrazine |
| IUPAC Name | 2-ethynyl-3-methylpyrazine |
| InChI | InChI=1S/C7H6N2/c1-3-7-6(2)8-4-5-9-7/h1,4-5H,2H3 |
| InChI Key | DUMMLPHEHHODSV-UHFFFAOYSA-N |
| MDL Number | MFCD22199323 |
| Molecular Formula | C7H6N2 |
| Molecular Weight | 118.1359 |
| SMILES | C(#C)C1=NC=CN=C1C |
| Synonyms | 2-Ethynyl-3-methylpyrazine,
41039-83-2,
Pyrazine, 2-ethynyl-3-methyl-,
KS-00002AEZ,
(3-Methylpyrazin-2-yl)acetylene,
2-Ethynyl-3-methyl-1,4-diazine,
MFCD22199323,
ZINC72265829,
AKOS026675520,
PS-5397,
F2167-5043,
2-ethynyl-3-methylpyrazine, 95% - 1G 1g,
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| Complexity | 133 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 118.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 118.139g/mol |
| Monoisotopic Mass | 118.053g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number