| CAS Number | 1015845-86-9 |
| Catalog Number | AG0004V3(AGN-PC-0WB3IA) |
| Chemical Name | 2,4-Dimethyl-6-(1H-pyrazol-1-yl)benzaldehyde |
| IUPAC Name | 2,4-dimethyl-6-pyrazol-1-ylbenzaldehyde |
| InChI | InChI=1S/C12H12N2O/c1-9-6-10(2)11(8-15)12(7-9)14-5-3-4-13-14/h3-8H,1-2H3 |
| InChI Key | XUMYFVVVQGGVSQ-UHFFFAOYSA-N |
| MDL Number | MFCD08059862 |
| Molecular Formula | C12H12N2O |
| Molecular Weight | 200.2365 |
| SMILES | C1(=CC(C)=CC(C)=C1C([H])=O)N1C=CC=N1 |
| Synonyms | 2,4-DIMETHYL-6-(1H-PYRAZOL-1-YL)BENZALDEHYDE,
1015845-86-9,
CTK3J9945,
DTXSID50650852,
ZX-CM003825,
MFCD08059862,
ZINC19089522,
AKOS006339509,
AJ-71202,
Y-3433,
Benzaldehyde, 2,4-dimethyl-6-(1H-pyrazol-1-yl)-,
4011980-25G,
4011980-50G,
2,4-dimethyl-6-pyrazol-1-ylbenzaldehyde,
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| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number