| CAS Number | 1171494-10-2 |
| Catalog Number | AG00HDTD(AGN-PC-0WB418) |
| Chemical Name | 1-(3,4-dimethylphenyl)-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 1-(3,4-dimethylphenyl)pyrazole-4-carbaldehyde |
| InChI | InChI=1S/C12H12N2O/c1-9-3-4-12(5-10(9)2)14-7-11(8-15)6-13-14/h3-8H,1-2H3 |
| InChI Key | CQJUGLBVFQAIPI-UHFFFAOYSA-N |
| MDL Number | MFCD09864595 |
| Molecular Formula | C12H12N2O |
| Molecular Weight | 200.2365 |
| SMILES | N1(C2=CC=C(C(C)=C2)C)C=C(C=N1)C=O |
| Synonyms | 1-(3,4-dimethylphenyl)-1H-pyrazole-4-carbaldehyde,
1171494-10-2,
CTK7I0462,
ALBB-005395,
ZX-AN005321,
ZX-CM006498,
MFCD09864595,
STK503385,
ZINC19092881,
AKOS005171573,
TR-058752,
BB 0237700,
1-(3,4-dimethylphenyl)pyrazole-4-carbaldehyde,
Y-5903,
1-(3,4-Dimethyl-phenyl)-1H-pyrazole-4-carba ldehyde,
|
| 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