| CAS Number | 1207627-45-9 |
| Catalog Number | AG008WLH(AGN-PC-0WB2IW) |
| Chemical Name | 2-ETHYNYL-5-METHYLPYRAZINE |
| IUPAC Name | 2-ethynyl-5-methylpyrazine |
| InChI | InChI=1S/C7H6N2/c1-3-7-5-8-6(2)4-9-7/h1,4-5H,2H3 |
| InChI Key | TWCMJRITGMORDX-UHFFFAOYSA-N |
| MDL Number | MFCD22199322 |
| Molecular Formula | C7H6N2 |
| Molecular Weight | 118.1359 |
| SMILES | C(#C)c1cnc(cn1)C |
| Synonyms | 2-Ethynyl-5-methylpyrazine,
1207627-45-9,
SCHEMBL1923494,
Pyrazine, 2-ethynyl-5-methyl-,
KS-00002AEY,
(5-Methylpyrazin-2-yl)acetylene,
2-Ethynyl-5-methyl-1,4-diazine,
ZX-AT003686,
MFCD22199322,
ZINC72265831,
AKOS026675519,
FCH1615902,
OR53019,
PS-5396,
2-ethynyl-5-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