| CAS Number | 1152604-35-7 |
| Catalog Number | AG019X4Z |
| Chemical Name | 4-hydroxy-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 4-hydroxy-1-(4-methylphenyl)pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C11H10N2O3/c1-7-2-4-8(5-3-7)13-6-9(14)10(12-13)11(15)16/h2-6,14H,1H3,(H,15,16) |
| InChI Key | OTPJNPVATTYIGV-UHFFFAOYSA-N |
| MDL Number | MFCD12824278 |
| Molecular Formula | C11H10N2O3 |
| Molecular Weight | 218.2087 |
| SMILES | CC1=CC=C(N2N=C(C(O)=O)C(O)=C2)C=C1 |
| Synonyms | 4-hydroxy-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid,
1152604-35-7,
CTK6B8556,
ZINC36721576,
AKOS008122020,
MCULE-7846191989,
EN300-54056,
Z815264272,
AC1Q2LBJ,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.069142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.21g/mol |
| Monoisotopic Mass | 218.069142g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number