| CAS Number | 861585-27-5 |
| Catalog Number | AG01AOLW(AGN-PC-0WBDBK) |
| Chemical Name | 1,4-dimethyl-1H-pyrazole-3-carbaldehyde |
| IUPAC Name | 1,4-dimethylpyrazole-3-carbaldehyde |
| InChI | InChI=1S/C6H8N2O/c1-5-3-8(2)7-6(5)4-9/h3-4H,1-2H3 |
| InChI Key | LKBYTIDNKQGSAN-UHFFFAOYSA-N |
| MDL Number | MFCD10700233 |
| Molecular Formula | C6H8N2O |
| Molecular Weight | 124.1405 |
| SMILES | CC1C(C=O)=NN(C)C=1 |
| Synonyms | 1,4-dimethyl-1H-pyrazole-3-carbaldehyde,
861585-27-5,
SCHEMBL2517185,
1,4-dimethylpyrazole-3-carbaldehyde,
MFCD10700233,
SBB073804,
ZINC20443647,
AKOS006305601,
MCULE-7160765501,
|
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 124.143g/mol |
| Monoisotopic Mass | 124.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number