| CAS Number | 1189977-24-9 |
| Catalog Number | AG01C9YV |
| Chemical Name | 4-(2-Methyl-2h-pyrazol-3-yl)-benzoic acid |
| IUPAC Name | 4-(2-methylpyrazol-3-yl)benzoic acid |
| InChI | InChI=1S/C11H10N2O2/c1-13-10(6-7-12-13)8-2-4-9(5-3-8)11(14)15/h2-7H,1H3,(H,14,15) |
| InChI Key | YJGQJSCTEQJHMT-UHFFFAOYSA-N |
| MDL Number | MFCD11846165 |
| Molecular Formula | C11H10N2O2 |
| Molecular Weight | 202.2093 |
| SMILES | CN1C(C2=CC=C(C(O)=O)C=C2)=CC=N1 |
| Synonyms | 4-(2-Methyl-2H-pyrazol-3-yl)-benzoic acid,
1189977-24-9,
4-(2-methyl-2H-pyrazol-3-yl)benzoic acid,
CTK7I7837,
ZINC35635888,
AKOS013277709,
4-(1-methyl-1H-pyrazol-5-yl)benzoic acid,
I14-16725,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.213g/mol |
| Monoisotopic Mass | 202.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number