| CAS Number | 1175962-10-3 |
| Catalog Number | AG01BIY0 |
| Chemical Name | 5-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 5-(3,4-dimethoxyphenyl)-1-methylpyrazole-3-carboxylic acid |
| InChI | InChI=1S/C13H14N2O4/c1-15-10(7-9(14-15)13(16)17)8-4-5-11(18-2)12(6-8)19-3/h4-7H,1-3H3,(H,16,17) |
| InChI Key | HUOZKQRMQCFGPJ-UHFFFAOYSA-N |
| MDL Number | MFCD09901139 |
| Molecular Formula | C13H14N2O4 |
| Molecular Weight | 262.2613 |
| SMILES | COC1=C(OC)C=C(C2N(C)N=C(C(O)=O)C=2)C=C1 |
| Synonyms | 5-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrazole-3-carboxylic acid,
1175962-10-3,
ZINC11801950,
AKOS011551479,
|
| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.265g/mol |
| Monoisotopic Mass | 262.095g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 73.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number