| CAS Number | 1546562-99-5 |
| Catalog Number | AG01C32U |
| Chemical Name | 3-methyl-1-(3-methylphenyl)-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 3-methyl-1-(3-methylphenyl)pyrazole-4-carbaldehyde |
| InChI | InChI=1S/C12H12N2O/c1-9-4-3-5-12(6-9)14-7-11(8-15)10(2)13-14/h3-8H,1-2H3 |
| InChI Key | WKAYVIICLCURSY-UHFFFAOYSA-N |
| MDL Number | MFCD29762777 |
| Molecular Formula | C12H12N2O |
| Molecular Weight | 200.2365 |
| SMILES | CC1C(C=O)=CN(C2=CC(C)=CC=C2)N=1 |
| Synonyms | 3-methyl-1-(3-methylphenyl)-1H-pyrazole-4-carbaldehyde,
1546562-99-5,
AKOS023631168,
ZINC107368415,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.241g/mol |
| Monoisotopic Mass | 200.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number