| CAS Number | 163814-56-0 |
| Catalog Number | AG01A2UZ |
| Chemical Name | 1-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C14H16N2O2/c1-10-14(9-17)11(2)16(15-10)8-12-4-6-13(18-3)7-5-12/h4-7,9H,8H2,1-3H3 |
| InChI Key | MVTAXJHLUMWNBU-UHFFFAOYSA-N |
| MDL Number | MFCD12103613 |
| Molecular Formula | C14H16N2O2 |
| Molecular Weight | 244.2890 |
| SMILES | COC1=CC=C(CN2C(C)=C(C=O)C(C)=N2)C=C1 |
| Synonyms | 1-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carbaldehyde,
163814-56-0,
SCHEMBL3320584,
ZINC36868031,
NE43012,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.294g/mol |
| Monoisotopic Mass | 244.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number