| CAS Number | 1152536-76-9 |
| Catalog Number | AG01BOQG |
| Chemical Name | 1-(3-Methoxyphenyl)-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 1-(3-methoxyphenyl)pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C11H10N2O3/c1-16-9-4-2-3-8(7-9)13-6-5-10(12-13)11(14)15/h2-7H,1H3,(H,14,15) |
| InChI Key | AMAOKRAYAGBQRE-UHFFFAOYSA-N |
| MDL Number | MFCD11193624 |
| Molecular Formula | C11H10N2O3 |
| Molecular Weight | 218.2087 |
| SMILES | COC=1C=C(C=CC1)N1N=C(C=C1)C(=O)O |
| Synonyms | 1-(3-methoxyphenyl)-1H-pyrazole-3-carboxylic acid,
1152536-76-9,
ZINC20475906,
AKOS009260947,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.212g/mol |
| Monoisotopic Mass | 218.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number