| CAS Number | 1152508-57-0 |
| Catalog Number | AG01AKCD |
| Chemical Name | 3-(2-methoxyphenyl)-1-methyl-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 3-(2-methoxyphenyl)-1-methylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C12H12N2O2/c1-14-7-9(8-15)12(13-14)10-5-3-4-6-11(10)16-2/h3-8H,1-2H3 |
| InChI Key | JDYHDIHZDWXMKX-UHFFFAOYSA-N |
| MDL Number | MFCD11180178 |
| Molecular Formula | C12H12N2O2 |
| Molecular Weight | 216.2359 |
| SMILES | COC1=C(C2C(C=O)=CN(C)N=2)C=CC=C1 |
| Synonyms | 3-(2-methoxyphenyl)-1-methyl-1H-pyrazole-4-carbaldehyde,
1152508-57-0,
ZINC31885623,
NE60275,
EN300-83421,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.24g/mol |
| Monoisotopic Mass | 216.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number