| CAS Number | 112466-01-0 |
| Catalog Number | AG009PW9(AGN-PC-02Z1MO) |
| Chemical Name | 4,5-dimethyl-1H-pyrazole-3-carbaldehyde |
| IUPAC Name | 4,5-dimethyl-1H-pyrazole-3-carbaldehyde |
| InChI | InChI=1S/C6H8N2O/c1-4-5(2)7-8-6(4)3-9/h3H,1-2H3,(H,7,8) |
| InChI Key | BKMWMGKRGOCCQW-UHFFFAOYSA-N |
| MDL Number | MFCD18809569 |
| Molecular Formula | C6H8N2O |
| Molecular Weight | 124.1405 |
| SMILES | CC1=C(C)C(C=O)=NN1 |
| Synonyms | 4,5-Dimethyl-1H-pyrazole-3-carbaldehyde,
112466-01-0,
3,4-Dimethyl-1H-pyrazole-5-carbaldehyde,
1H-Pyrazole-3-carboxaldehyde, 4,5-dimethyl- (9CI),
4,5-dimethyl-3-formylpyrazole,
SCHEMBL4705385,
SCHEMBL14184935,
CTK8G5854,
ZINC38803726,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 124.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 124.143g/mol |
| Monoisotopic Mass | 124.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number