| CAS Number | 1454849-88-7 |
| Catalog Number | AG01BVLD |
| Chemical Name | 3-methoxy-1-methyl-1H-pyrazole-5-carbaldehyde |
| IUPAC Name | 5-methoxy-2-methylpyrazole-3-carbaldehyde |
| InChI | InChI=1S/C6H8N2O2/c1-8-5(4-9)3-6(7-8)10-2/h3-4H,1-2H3 |
| InChI Key | PRDYUGCCINKGMR-UHFFFAOYSA-N |
| MDL Number | MFCD25459979 |
| Molecular Formula | C6H8N2O2 |
| Molecular Weight | 140.1399 |
| SMILES | COC1=NN(C)C(C=O)=C1 |
| Synonyms | 3-methoxy-1-methyl-1H-pyrazole-5-carbaldehyde,
1454849-88-7,
SCHEMBL2515686,
ZINC143849363,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.142g/mol |
| Monoisotopic Mass | 140.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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