| CAS Number | 1142927-97-6 |
| Catalog Number | AG00970Z(AGN-PC-0WBD7V) |
| Chemical Name | 2-(1-methyl-1H-pyrazol-3-yl)acetonitrile |
| IUPAC Name | 2-(1-methylpyrazol-3-yl)acetonitrile |
| InChI | InChI=1S/C6H7N3/c1-9-5-3-6(8-9)2-4-7/h3,5H,2H2,1H3 |
| InChI Key | FCZKETPZEHWCAI-UHFFFAOYSA-N |
| MDL Number | MFCD18262385 |
| Molecular Formula | C6H7N3 |
| Molecular Weight | 121.1399 |
| SMILES | CN1N=C(CC#N)C=C1 |
| Synonyms | 1142927-97-6,
2-(1-methyl-1H-pyrazol-3-yl)acetonitrile,
(1-methyl-1H-pyrazol-3-yl)acetonitrile,
2-(1-methylpyrazol-3-yl)ethanenitrile,
SCHEMBL3677812,
FCZKETPZEHWCAI-UHFFFAOYSA-N,
MFCD18262385,
SBB073641,
ZINC72209535,
AKOS005169513,
MCULE-5146018415,
NE34490,
SB13792,
(1-Methyl-1H-pyrazol-3-yl)-acetonitrile,
ST45256144,
Z1642579476,
|
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 121.143g/mol |
| Monoisotopic Mass | 121.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number