| CAS Number | 887408-03-9 |
| Catalog Number | AG01C02H |
| Chemical Name | ethyl 2-[4-formyl-3-(4-methoxyphenyl)-1H-pyrazol-1-yl]acetate |
| IUPAC Name | ethyl 2-[4-formyl-3-(4-methoxyphenyl)pyrazol-1-yl]acetate |
| InChI | InChI=1S/C15H16N2O4/c1-3-21-14(19)9-17-8-12(10-18)15(16-17)11-4-6-13(20-2)7-5-11/h4-8,10H,3,9H2,1-2H3 |
| InChI Key | RLJVGKJPVKSBBO-UHFFFAOYSA-N |
| MDL Number | MFCD06662337 |
| Molecular Formula | C15H16N2O4 |
| Molecular Weight | 288.2985 |
| SMILES | CCOC(CN1N=C(C2=CC=C(OC)C=C2)C(C=O)=C1)=O |
| Synonyms | ethyl 2-[4-formyl-3-(4-methoxyphenyl)-1H-pyrazol-1-yl]acetate,
887408-03-9,
ZINC12413515,
|
| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.303g/mol |
| Monoisotopic Mass | 288.111g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 70.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number