| CAS Number | 1155066-46-8 |
| Catalog Number | AG01ALWR |
| Chemical Name | 1-(Pyridin-4-yl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 1-pyridin-4-ylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C9H7N3O2/c13-9(14)7-5-11-12(6-7)8-1-3-10-4-2-8/h1-6H,(H,13,14) |
| InChI Key | HRKRCTONQOYQPH-UHFFFAOYSA-N |
| MDL Number | MFCD12134529 |
| Molecular Formula | C9H7N3O2 |
| Molecular Weight | 189.1708 |
| SMILES | O=C(O)C(C=N1)=CN1C2=CC=NC=C2 |
| Synonyms | 1-(Pyridin-4-yl)-1H-pyrazole-4-carboxylic acid,
1155066-46-8,
ZINC35779312,
KS-7101,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.174g/mol |
| Monoisotopic Mass | 189.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number