| CAS Number | 1427380-57-1 |
| Catalog Number | AG01A3VN(AGN-PC-0WOBA7) |
| Chemical Name | 3-ethyl-5-methoxy-1-methyl-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 3-ethyl-5-methoxy-1-methylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C8H12N2O2/c1-4-7-6(5-11)8(12-3)10(2)9-7/h5H,4H2,1-3H3 |
| InChI Key | HKBSTZGNBKPBKY-UHFFFAOYSA-N |
| MDL Number | MFCD23144124 |
| Molecular Formula | C8H12N2O2 |
| Molecular Weight | 168.1931 |
| SMILES | CCC1C(C=O)=C(OC)N(C)N=1 |
| Synonyms | 3-ethyl-5-methoxy-1-methyl-1H-pyrazole-4-carbaldehyde,
1427380-57-1,
ZINC88613708,
AKOS024054301,
NE38559,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.196g/mol |
| Monoisotopic Mass | 168.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number