3-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
3-(5-oxo-3-propyl-4H-pyrazol-1-yl)benzoic acid
Also Known As: 3-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid|3-(5-oxo-3-propyl-4H-pyrazol-1-yl)benzoic acid|BAS 08935796|3-(5-oxo-3-propyl-2-pyrazolinyl)benzoic acid|Y-1269|3-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoicacid|3-(5-Oxo-3-propyl-4,5-dihydro-pyrazol-1-yl)-benzoic acid
CAS: 701221-57-0
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10045 g/mol |
| LogP | 2.2776 |
| Topological Polar Surface Area | 69.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.10045 |
| Monoisotopic Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 522.7226 |
Chemical Identifiers
| CAS Number | 701221-57-0 |
|---|---|
| SMILES | CCCC1=NN(C(=O)C1)C2=CC=CC(=C2)C(=O)O |
Product Overview
3-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid (CAS 701221-57-0), with molecular formula C13H14N2O3 and molecular weight 246.10045 g/mol. IUPAC: 3-(5-oxo-3-propyl-4H-pyrazol-1-yl)benzoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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3-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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