| CAS Number | 1344275-46-2 |
| Catalog Number | AG01DYOJ |
| Chemical Name | 1-(Cyanomethyl)-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 1-(cyanomethyl)pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C6H5N3O2/c7-2-4-9-3-1-5(8-9)6(10)11/h1,3H,4H2,(H,10,11) |
| InChI Key | DNXHLBJXBNBFMV-UHFFFAOYSA-N |
| MDL Number | MFCD20331039 |
| Molecular Formula | C6H5N3O2 |
| Molecular Weight | 151.1228 |
| SMILES | OC(C1=NN(CC#N)C=C1)=O |
| Synonyms | 1-(cyanomethyl)-1H-pyrazole-3-carboxylic acid,
1344275-46-2,
AKOS013771597,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 151.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.125g/mol |
| Monoisotopic Mass | 151.038g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number