| CAS Number | 278798-06-4 |
| Catalog Number | AG019XZQ(AGN-PC-0WCOP2) |
| Chemical Name | 2-(3-methyl-1H-pyrazol-5-yl)acetonitrile |
| IUPAC Name | 2-(5-methyl-1H-pyrazol-3-yl)acetonitrile |
| InChI | InChI=1S/C6H7N3/c1-5-4-6(2-3-7)9-8-5/h4H,2H2,1H3,(H,8,9) |
| InChI Key | WTVPXADYVCPMHC-UHFFFAOYSA-N |
| MDL Number | MFCD24848601 |
| Molecular Formula | C6H7N3 |
| Molecular Weight | 121.1399 |
| SMILES | CC1=NNC(CC#N)=C1 |
| Synonyms | 2-(3-methyl-1H-pyrazol-5-yl)acetonitrile,
278798-06-4,
5-methyl-1H-Pyrazole-3-acetonitrile,
SCHEMBL8007101,
WTVPXADYVCPMHC-UHFFFAOYSA-N,
ZINC82411659,
AKOS022719607,
FT-0739615,
F2198-0070,
|
| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 121.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 121.143g/mol |
| Monoisotopic Mass | 121.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number