| CAS Number | 72899-94-6 |
| Catalog Number | AG00ICBX(AGN-PC-0WOCUA) |
| Chemical Name | 4-(5-methyl-1H-pyrazol-1-yl)benzoic acid |
| IUPAC Name | 4-(5-methylpyrazol-1-yl)benzoic acid |
| InChI | InChI=1S/C11H10N2O2/c1-8-6-7-12-13(8)10-4-2-9(3-5-10)11(14)15/h2-7H,1H3,(H,14,15) |
| InChI Key | MJTSOUSVHDKPCQ-UHFFFAOYSA-N |
| MDL Number | MFCD07329966 |
| Molecular Formula | C11H10N2O2 |
| Molecular Weight | 202.2093 |
| SMILES | CC1=CC=NN1C1=CC=C(C(=O)O)C=C1 |
| Synonyms | 4-(5-methyl-1H-pyrazol-1-yl)benzoic acid,
72899-94-6,
4-(5-methylpyrazol-1-yl)benzoic Acid,
AC1NLR4Z,
AC1Q2NYH,
CTK7I8012,
ZINC4207223,
MFCD07329966,
AKOS009016125,
MCULE-4417776678,
NE51415,
SC-38260,
EN300-14005,
Z96091967,
CID4962781,
|
| 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 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number