| CAS Number | 179055-29-9 |
| Catalog Number | AG0026R3(AGN-PC-0QBHPX) |
| Chemical Name | Benzaldehyde, 4-(1-methyl-1H-pyrazol-4-yl)- |
| IUPAC Name | 4-(1-methylpyrazol-4-yl)benzaldehyde |
| InChI | InChI=1S/C11H10N2O/c1-13-7-11(6-12-13)10-4-2-9(8-14)3-5-10/h2-8H,1H3 |
| InChI Key | AUZCPJSYHVZKQZ-UHFFFAOYSA-N |
| MDL Number | MFCD08669908 |
| Molecular Formula | C11H10N2O |
| Molecular Weight | 186.2099 |
| SMILES | O=CC1=CC=C(C2=CN(C)N=C2)C=C1 |
| Synonyms | 179055-29-9,
4-(1-METHYL-1H-PYRAZOL-4-YL)BENZALDEHYDE,
Benzaldehyde, 4-(1-methyl-1H-pyrazol-4-yl)-,
Benzaldehyde,4-(1-methyl-1H-pyrazol-4-yl)-,
SCHEMBL2474811,
CTK4D7162,
DTXSID10445327,
MFCD08669908,
ZINC20441196,
AKOS010262601,
AS-53380,
I14-33256,
4-(1-methylpyrazol-4-yl)benzaldehyde,
CID10821404,
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| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.214g/mol |
| Monoisotopic Mass | 186.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number