| CAS Number | 953076-87-4 |
| Catalog Number | AG01CA29 |
| Chemical Name | 2-(1-methyl-1H-pyrazol-4-yl)benzoic acid |
| IUPAC Name | 2-(1-methylpyrazol-4-yl)benzoic acid |
| InChI | InChI=1S/C11H10N2O2/c1-13-7-8(6-12-13)9-4-2-3-5-10(9)11(14)15/h2-7H,1H3,(H,14,15) |
| InChI Key | AWIQDDSSPIYOFS-UHFFFAOYSA-N |
| MDL Number | MFCD11932710 |
| Molecular Formula | C11H10N2O2 |
| Molecular Weight | 202.2093 |
| SMILES | CN1N=CC(C2=C(C(O)=O)C=CC=C2)=C1 |
| Synonyms | 2-(1-METHYL-1H-PYRAZOL-4-YL)BENZOIC ACID,
953076-87-4,
SCHEMBL19484795,
AKOS010254274,
|
| 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 | 1.4 |
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Certificate of Analysis
Lot Number