| CAS Number | 1803581-64-7 |
| Catalog Number | AG01BHRR |
| Chemical Name | 1-(methoxymethyl)-4-methyl-1H-pyrazole-5-carbaldehyde |
| IUPAC Name | 2-(methoxymethyl)-4-methylpyrazole-3-carbaldehyde |
| InChI | InChI=1S/C7H10N2O2/c1-6-3-8-9(5-11-2)7(6)4-10/h3-4H,5H2,1-2H3 |
| InChI Key | YEYKKCYDLRMCEN-UHFFFAOYSA-N |
| MDL Number | MFCD28246287 |
| Molecular Formula | C7H10N2O2 |
| Molecular Weight | 154.1665 |
| SMILES | COCN1C(C=O)=C(C)C=N1 |
| Synonyms | 1-(methoxymethyl)-4-methyl-1H-pyrazole-5-carbaldehyde,
1803581-64-7,
ZINC216713055,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.169g/mol |
| Monoisotopic Mass | 154.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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