| CAS Number | 916333-43-2 |
| Catalog Number | AG006F7A(AGN-PC-0J0YD4) |
| Chemical Name | 5-Acetylpyrazine-2-carbonitrile |
| IUPAC Name | 5-acetylpyrazine-2-carbonitrile |
| InChI | InChI=1S/C7H5N3O/c1-5(11)7-4-9-6(2-8)3-10-7/h3-4H,1H3 |
| InChI Key | SRCTYSHBUFUPHW-UHFFFAOYSA-N |
| MDL Number | MFCD15144334 |
| Molecular Formula | C7H5N3O |
| Molecular Weight | 147.1341 |
| SMILES | CC(=O)C1=NC=C(N=C1)C#N |
| Synonyms | 5-Acetylpyrazine-2-carbonitrile,
916333-43-2,
AK-55120,
CTK8C4490,
DTXSID80743928,
5435AC,
ANW-72122,
MFCD15144334,
ZINC85224575,
AKOS016007640,
FCH1169931,
KS-00000P01,
DS-14686,
AJ-127546,
AX8216571,
TC-160867,
4CH-024250,
ST24044296,
C7H5N3O,
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| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 147.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 147.137g/mol |
| Monoisotopic Mass | 147.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number