3-Hydroxy-2-(4-(2-methylpropyl)phenyl)propanoic acid
3-hydroxy-2-[4-(2-methylpropyl)phenyl]propanoic acid
Also Known As: 3-hydroxy-ibuprofen|3-hydroxy-2-[4-(2-methylpropyl)phenyl]propanoic Acid|p-isobutyl-2-phenyl-3-hydroxypropane acid|3-Hydroxy-2-(4-(2-methylpropyl)phenyl)propanoic acid|Benzeneacetic acid, -alpha--(hydroxymethyl)-4-(2-methylpropyl)- (9CI)
CAS: 64730-72-9
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.1256 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.1256 |
| Monoisotopic Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 64730-72-9 |
|---|---|
| SMILES | CC(C)CC1=CC=C(C=C1)C(CO)C(=O)O |
| InChIKey | GSVPDLNMVPXACN-UHFFFAOYSA-N |
Product Overview
3-Hydroxy-2-(4-(2-methylpropyl)phenyl)propanoic acid (CAS 64730-72-9), with molecular formula C13H18O3 and molecular weight 222.1256 g/mol. IUPAC: 3-hydroxy-2-[4-(2-methylpropyl)phenyl]propanoic 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.
View MSDS →
3-Hydroxy-2-(4-(2-methylpropyl)phenyl)propanoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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