| CAS Number | 1159830-34-8 |
| Catalog Number | AG01BH0E(AGN-PC-0WOTWS) |
| Chemical Name | 1-(2-methoxyphenyl)-1H-pyrazole-5-carbaldehyde |
| IUPAC Name | 2-(2-methoxyphenyl)pyrazole-3-carbaldehyde |
| InChI | InChI=1S/C11H10N2O2/c1-15-11-5-3-2-4-10(11)13-9(8-14)6-7-12-13/h2-8H,1H3 |
| InChI Key | DIDFDOJWJUKAQM-UHFFFAOYSA-N |
| MDL Number | MFCD22549375 |
| Molecular Formula | C11H10N2O2 |
| Molecular Weight | 202.2093 |
| SMILES | O=CC1=CC=NN1C2=CC=CC=C2OC |
| Synonyms | 1-(2-methoxyphenyl)-1H-pyrazole-5-carbaldehyde,
1159830-34-8,
AKOS026743443,
ZINC216653083,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.074228g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.21g/mol |
| Monoisotopic Mass | 202.074228g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number