| CAS Number | 1351386-04-3 |
| Catalog Number | AG01AOV1(AGN-PC-0WBEZN) |
| Chemical Name | 3-methyl-1-propyl-1H-pyrazole-5-carbaldehyde |
| IUPAC Name | 5-methyl-2-propylpyrazole-3-carbaldehyde |
| InChI | InChI=1S/C8H12N2O/c1-3-4-10-8(6-11)5-7(2)9-10/h5-6H,3-4H2,1-2H3 |
| InChI Key | XMNQLJREUIWWHK-UHFFFAOYSA-N |
| MDL Number | MFCD20491911 |
| Molecular Formula | C8H12N2O |
| Molecular Weight | 152.1937 |
| SMILES | CCCN1C(C=O)=CC(C)=N1 |
| Synonyms | 3-Methyl-1-propyl-1H-pyrazole-5-carbaldehyde,
1351386-04-3,
SCHEMBL18718139,
MFCD20491911,
ZINC72209919,
AKOS027450669,
FCH1417802,
EN300-233145,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.197g/mol |
| Monoisotopic Mass | 152.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number