| CAS Number | 1020724-35-9 |
| Catalog Number | AG01A4AZ |
| Chemical Name | 1-(4-methoxyphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxylic acid |
| InChI | InChI=1S/C12H12N2O3/c1-8-7-11(12(15)16)13-14(8)9-3-5-10(17-2)6-4-9/h3-7H,1-2H3,(H,15,16) |
| InChI Key | AONXPDKLYJASOS-UHFFFAOYSA-N |
| MDL Number | MFCD08443790 |
| Molecular Formula | C12H12N2O3 |
| Molecular Weight | 232.2353 |
| SMILES | COC1=CC=C(N2C(C)=CC(C(O)=O)=N2)C=C1 |
| Synonyms | 1-(4-methoxyphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid,
1020724-35-9,
1-(4-METHOXY-PHENYL)-5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID,
CTK7A4553,
ZINC8700395,
AKOS012475015,
KS-9058,
MCULE-5380206006,
NE31394,
Z1582263067,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.239g/mol |
| Monoisotopic Mass | 232.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number