| CAS Number | 1267443-23-1 |
| Catalog Number | AG01AF40 |
| Chemical Name | 4-Formyl-1-methyl-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 4-formyl-1-methylpyrazole-3-carboxylic acid |
| InChI | InChI=1S/C6H6N2O3/c1-8-2-4(3-9)5(7-8)6(10)11/h2-3H,1H3,(H,10,11) |
| InChI Key | NJFKLNYSBXLXQG-UHFFFAOYSA-N |
| MDL Number | MFCD19347138 |
| Molecular Formula | C6H6N2O3 |
| Molecular Weight | 154.1234 |
| SMILES | CN1N=C(C(O)=O)C(C=O)=C1 |
| Synonyms | 4-formyl-1-methyl-1H-pyrazole-3-carboxylic acid,
1267443-23-1,
ZINC58517649,
AKOS022358100,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.125g/mol |
| Monoisotopic Mass | 154.038g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number