| CAS Number | 1251101-59-3 |
| Catalog Number | AG01C1NW |
| Chemical Name | 3-methyl-4-(1H-pyrazol-1-yl)benzoic acid |
| IUPAC Name | 3-methyl-4-pyrazol-1-ylbenzoic acid |
| InChI | InChI=1S/C11H10N2O2/c1-8-7-9(11(14)15)3-4-10(8)13-6-2-5-12-13/h2-7H,1H3,(H,14,15) |
| InChI Key | BUQAHTXZCXPYMW-UHFFFAOYSA-N |
| MDL Number | MFCD16686166 |
| Molecular Formula | C11H10N2O2 |
| Molecular Weight | 202.2093 |
| SMILES | CC1=C(N2N=CC=C2)C=CC(C(O)=O)=C1 |
| Synonyms | 3-methyl-4-(1H-pyrazol-1-yl)benzoic acid,
1251101-59-3,
ZINC50546244,
AKOS011401044,
Z2350906816,
|
| Complexity | 245 |
| 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 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number