| CAS Number | 241798-67-4 |
| Catalog Number | AG01ACYF(AGN-PC-0WO3J7) |
| Chemical Name | 4-Methyl-1-phenyl-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 4-methyl-1-phenylpyrazole-3-carboxylic acid |
| InChI | InChI=1S/C11H10N2O2/c1-8-7-13(12-10(8)11(14)15)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15) |
| InChI Key | LHRKEPMAEXHVOS-UHFFFAOYSA-N |
| MDL Number | MFCD24480178 |
| Molecular Formula | C11H10N2O2 |
| Molecular Weight | 202.2093 |
| SMILES | O=C(C1=NN(C2=CC=CC=C2)C=C1C)O |
| Synonyms | 4-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid,
241798-67-4,
1H-Pyrazole-3-carboxylic acid, 4-methyl-1-phenyl-,
SCHEMBL4302959,
LHRKEPMAEXHVOS-UHFFFAOYSA-N,
ZINC95883636,
AKOS026727241,
NE18046,
4-methyl-1-phenylpyrazole-3-carboxylic acid,
|
| Complexity | 239 |
| 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 | 2.1 |
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Certificate of Analysis
Lot Number