| CAS Number | 1258651-69-2 |
| Catalog Number | AG01A8ZN(AGN-PC-0WOCSC) |
| Chemical Name | 5-methoxy-1-methyl-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 5-methoxy-1-methyl-3-propan-2-ylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C9H14N2O2/c1-6(2)8-7(5-12)9(13-4)11(3)10-8/h5-6H,1-4H3 |
| InChI Key | HYDMAORXQDQKDE-UHFFFAOYSA-N |
| MDL Number | MFCD17167118 |
| Molecular Formula | C9H14N2O2 |
| Molecular Weight | 182.2197 |
| SMILES | COC1N(C)N=C(C(C)C)C=1C=O |
| Synonyms | 5-methoxy-1-methyl-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde,
1258651-69-2,
AC1Q45BI,
SCHEMBL11491239,
ZINC57217730,
AKOS024060891,
NE49621,
EN300-63799,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.223g/mol |
| Monoisotopic Mass | 182.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number