4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid
4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoic acid
Also Known As: 4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid|4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid|null|MAQUINDOX|4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoic acid|TimTec1_002931|Oprea1_867127|EINECS 262-509-6|Benzoic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-|Tox21_301816|CK2185|KM0443|QC-905|CS-W014794|HY-W014078|1-(4-Carboxylphenyl)-3-methyl-5-pyrazolone|NCGC00256128-01
| Molecular Formula | C11H10N2O3 |
|---|---|
| Molecular Weight | 218.06914 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 69.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.06914 |
| Heavy Atoms | 16 |
| Complexity | 476.5 |
Chemical Identifiers
| CAS Number | 60875-16-3 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C2=CC=C(C=C2)C(=O)O |
Product Overview
4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid (CAS 60875-16-3), with molecular formula C11H10N2O3 and molecular weight 218.06914 g/mol. IUPAC: 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoic acid.
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