| CAS Number | 1152604-56-2 |
| Catalog Number | AG019SDX |
| Chemical Name | 1-(2-ethylphenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 1-(2-ethylphenyl)-4-hydroxypyrazole-3-carboxylic acid |
| InChI | InChI=1S/C12H12N2O3/c1-2-8-5-3-4-6-9(8)14-7-10(15)11(13-14)12(16)17/h3-7,15H,2H2,1H3,(H,16,17) |
| InChI Key | ARTCTQOJUBWBNM-UHFFFAOYSA-N |
| MDL Number | MFCD11101749 |
| Molecular Formula | C12H12N2O3 |
| Molecular Weight | 232.2353 |
| SMILES | CCC1=C(N2N=C(C(O)=O)C(O)=C2)C=CC=C1 |
| Synonyms | 1-(2-ethylphenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid,
1152604-56-2,
ZINC34959260,
AKOS008121445,
MCULE-1741925328,
NE40136,
EN300-93276,
|
| Complexity | 285 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.239g/mol |
| Monoisotopic Mass | 232.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number